data_19968 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19968 _Entry.Title ; 1H, 13C, and 15N resonance assignments for the tandem PHD finger motifs of human CHD4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-12 _Entry.Accession_date 2014-05-12 _Entry.Last_release_date 2016-10-06 _Entry.Original_release_date 2016-10-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Louise Walport . J . . 19968 2 Rosa Morra . . . . 19968 3 Erika Mancini . . . . 19968 4 Christina Redfield . . . . 19968 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19968 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 19968 '15N chemical shifts' 128 19968 '1H chemical shifts' 790 19968 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-06 . original BMRB . 19968 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19968 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25326197 _Citation.Full_citation . _Citation.Title ; (1)H, (13)C, and (15)N resonance assignments for the tandem PHD finger motifs of human CHD4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 239 _Citation.Page_last 242 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Louise Walport . J . . 19968 1 2 Rosa Morra . . . . 19968 1 3 Erika Mancini . . . . 19968 1 4 Christina Redfield . . . . 19968 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone resonance assignments' 19968 1 'Heteronuclear NMR' 19968 1 Histone 19968 1 'Human chromodomain helicase DNA binding protein 4' 19968 1 'Plant homeodomain zinc finger' 19968 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19968 _Assembly.ID 1 _Assembly.Name 'tandem PHD fingers of CHD4' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16900 _Assembly.Enzyme_commission_number . _Assembly.Details "Two PHDs connected by a long linker. Each PHD has two zincs bound in a 'standard' C4HC3 zinc finger cross-brace topology." _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 dPHD 1 $dPHD A . yes native no no . protein . 19968 1 2 Zinc1 2 $entity_ZN A . no native no no . 'structural ion in 1st PHD' . 19968 1 3 Zinc2 2 $entity_ZN A . no native no no . 'structural ion in 1st PHD' . 19968 1 4 Zinc3 2 $entity_ZN A . no native no no . 'structural ion in 2nd PHD' . 19968 1 5 Zinc4 2 $entity_ZN A . no native no no . 'structural ion in 2nd PHD' . 19968 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . dPHD 9 CYS SG . Zinc1 na na na 19968 1 2 'metal coordination' single . 1 . 1 CYS 12 12 SG . 2 . 2 ZN 1 1 ZN . dPHD 12 CYS SG . Zinc1 na na na 19968 1 3 'metal coordination' single . 1 . 1 HIS 29 29 ND1 . 2 . 2 ZN 1 1 ZN . dPHD 29 HIS ND1 . Zinc1 na na na 19968 1 4 'metal coordination' single . 1 . 1 CYS 32 32 SG . 2 . 2 ZN 1 1 ZN . dPHD 32 CYS SG . Zinc1 na na na 19968 1 5 'metal coordination' single . 1 . 1 CYS 21 21 SG . 3 . 2 ZN 1 1 ZN . dPHD 21 CYS SG . Zinc2 na na na 19968 1 6 'metal coordination' single . 1 . 1 CYS 24 24 SG . 3 . 2 ZN 1 1 ZN . dPHD 24 CYS SG . Zinc2 na na na 19968 1 7 'metal coordination' single . 1 . 1 CYS 47 47 SG . 3 . 2 ZN 1 1 ZN . dPHD 47 CYS SG . Zinc2 na na na 19968 1 8 'metal coordination' single . 1 . 1 CYS 50 50 SG . 3 . 2 ZN 1 1 ZN . dPHD 50 CYS SG . Zinc2 na na na 19968 1 9 'metal coordination' single . 1 . 1 CYS 88 88 SG . 4 . 2 ZN 1 1 ZN . dPHD 88 CYS SG . Zinc3 na na na 19968 1 10 'metal coordination' single . 1 . 1 CYS 91 91 SG . 4 . 2 ZN 1 1 ZN . dPHD 91 CYS SG . Zinc3 na na na 19968 1 11 'metal coordination' single . 1 . 1 HIS 108 108 ND1 . 4 . 2 ZN 1 1 ZN . dPHD 108 HIS ND1 . Zinc3 na na na 19968 1 12 'metal coordination' single . 1 . 1 CYS 111 111 SG . 4 . 2 ZN 1 1 ZN . dPHD 111 CYS SG . Zinc3 na na na 19968 1 13 'metal coordination' single . 1 . 1 CYS 100 100 SG . 5 . 2 ZN 1 1 ZN . dPHD 100 CYS SG . Zinc4 na na na 19968 1 14 'metal coordination' single . 1 . 1 CYS 103 103 SG . 5 . 2 ZN 1 1 ZN . dPHD 103 CYS SG . Zinc4 na na na 19968 1 15 'metal coordination' single . 1 . 1 CYS 126 126 SG . 5 . 2 ZN 1 1 ZN . dPHD 126 CYS SG . Zinc4 na na na 19968 1 16 'metal coordination' single . 1 . 1 CYS 129 129 SG . 5 . 2 ZN 1 1 ZN . dPHD 129 CYS SG . Zinc4 na na na 19968 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dPHD _Entity.Sf_category entity _Entity.Sf_framecode dPHD _Entity.Entry_ID 19968 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dPHD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; METDHQDYCEVCQQGGEIIL CDTCPRAYHMVCLDPDMEKA PEGKWSCPHCEKEGIQWEAK EDNSEGEEILEEVGGDPEEE DDHHMEFCRVCKDGGELLCC DTCPSSYHIHCLNPPLPEIP NGEWLCPRCTCPALKGKKLE HHHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 130-7 represent a non-native affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19968 1 2 2 GLU . 19968 1 3 3 THR . 19968 1 4 4 ASP . 19968 1 5 5 HIS . 19968 1 6 6 GLN . 19968 1 7 7 ASP . 19968 1 8 8 TYR . 19968 1 9 9 CYS . 19968 1 10 10 GLU . 19968 1 11 11 VAL . 19968 1 12 12 CYS . 19968 1 13 13 GLN . 19968 1 14 14 GLN . 19968 1 15 15 GLY . 19968 1 16 16 GLY . 19968 1 17 17 GLU . 19968 1 18 18 ILE . 19968 1 19 19 ILE . 19968 1 20 20 LEU . 19968 1 21 21 CYS . 19968 1 22 22 ASP . 19968 1 23 23 THR . 19968 1 24 24 CYS . 19968 1 25 25 PRO . 19968 1 26 26 ARG . 19968 1 27 27 ALA . 19968 1 28 28 TYR . 19968 1 29 29 HIS . 19968 1 30 30 MET . 19968 1 31 31 VAL . 19968 1 32 32 CYS . 19968 1 33 33 LEU . 19968 1 34 34 ASP . 19968 1 35 35 PRO . 19968 1 36 36 ASP . 19968 1 37 37 MET . 19968 1 38 38 GLU . 19968 1 39 39 LYS . 19968 1 40 40 ALA . 19968 1 41 41 PRO . 19968 1 42 42 GLU . 19968 1 43 43 GLY . 19968 1 44 44 LYS . 19968 1 45 45 TRP . 19968 1 46 46 SER . 19968 1 47 47 CYS . 19968 1 48 48 PRO . 19968 1 49 49 HIS . 19968 1 50 50 CYS . 19968 1 51 51 GLU . 19968 1 52 52 LYS . 19968 1 53 53 GLU . 19968 1 54 54 GLY . 19968 1 55 55 ILE . 19968 1 56 56 GLN . 19968 1 57 57 TRP . 19968 1 58 58 GLU . 19968 1 59 59 ALA . 19968 1 60 60 LYS . 19968 1 61 61 GLU . 19968 1 62 62 ASP . 19968 1 63 63 ASN . 19968 1 64 64 SER . 19968 1 65 65 GLU . 19968 1 66 66 GLY . 19968 1 67 67 GLU . 19968 1 68 68 GLU . 19968 1 69 69 ILE . 19968 1 70 70 LEU . 19968 1 71 71 GLU . 19968 1 72 72 GLU . 19968 1 73 73 VAL . 19968 1 74 74 GLY . 19968 1 75 75 GLY . 19968 1 76 76 ASP . 19968 1 77 77 PRO . 19968 1 78 78 GLU . 19968 1 79 79 GLU . 19968 1 80 80 GLU . 19968 1 81 81 ASP . 19968 1 82 82 ASP . 19968 1 83 83 HIS . 19968 1 84 84 HIS . 19968 1 85 85 MET . 19968 1 86 86 GLU . 19968 1 87 87 PHE . 19968 1 88 88 CYS . 19968 1 89 89 ARG . 19968 1 90 90 VAL . 19968 1 91 91 CYS . 19968 1 92 92 LYS . 19968 1 93 93 ASP . 19968 1 94 94 GLY . 19968 1 95 95 GLY . 19968 1 96 96 GLU . 19968 1 97 97 LEU . 19968 1 98 98 LEU . 19968 1 99 99 CYS . 19968 1 100 100 CYS . 19968 1 101 101 ASP . 19968 1 102 102 THR . 19968 1 103 103 CYS . 19968 1 104 104 PRO . 19968 1 105 105 SER . 19968 1 106 106 SER . 19968 1 107 107 TYR . 19968 1 108 108 HIS . 19968 1 109 109 ILE . 19968 1 110 110 HIS . 19968 1 111 111 CYS . 19968 1 112 112 LEU . 19968 1 113 113 ASN . 19968 1 114 114 PRO . 19968 1 115 115 PRO . 19968 1 116 116 LEU . 19968 1 117 117 PRO . 19968 1 118 118 GLU . 19968 1 119 119 ILE . 19968 1 120 120 PRO . 19968 1 121 121 ASN . 19968 1 122 122 GLY . 19968 1 123 123 GLU . 19968 1 124 124 TRP . 19968 1 125 125 LEU . 19968 1 126 126 CYS . 19968 1 127 127 PRO . 19968 1 128 128 ARG . 19968 1 129 129 CYS . 19968 1 130 130 THR . 19968 1 131 131 CYS . 19968 1 132 132 PRO . 19968 1 133 133 ALA . 19968 1 134 134 LEU . 19968 1 135 135 LYS . 19968 1 136 136 GLY . 19968 1 137 137 LYS . 19968 1 138 138 LYS . 19968 1 139 139 LEU . 19968 1 140 140 GLU . 19968 1 141 141 HIS . 19968 1 142 142 HIS . 19968 1 143 143 HIS . 19968 1 144 144 HIS . 19968 1 145 145 HIS . 19968 1 146 146 HIS . 19968 1 147 147 HIS . 19968 1 148 148 HIS . 19968 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19968 1 . GLU 2 2 19968 1 . THR 3 3 19968 1 . ASP 4 4 19968 1 . HIS 5 5 19968 1 . GLN 6 6 19968 1 . ASP 7 7 19968 1 . TYR 8 8 19968 1 . CYS 9 9 19968 1 . GLU 10 10 19968 1 . VAL 11 11 19968 1 . CYS 12 12 19968 1 . GLN 13 13 19968 1 . GLN 14 14 19968 1 . GLY 15 15 19968 1 . GLY 16 16 19968 1 . GLU 17 17 19968 1 . ILE 18 18 19968 1 . ILE 19 19 19968 1 . LEU 20 20 19968 1 . CYS 21 21 19968 1 . ASP 22 22 19968 1 . THR 23 23 19968 1 . CYS 24 24 19968 1 . PRO 25 25 19968 1 . ARG 26 26 19968 1 . ALA 27 27 19968 1 . TYR 28 28 19968 1 . HIS 29 29 19968 1 . MET 30 30 19968 1 . VAL 31 31 19968 1 . CYS 32 32 19968 1 . LEU 33 33 19968 1 . ASP 34 34 19968 1 . PRO 35 35 19968 1 . ASP 36 36 19968 1 . MET 37 37 19968 1 . GLU 38 38 19968 1 . LYS 39 39 19968 1 . ALA 40 40 19968 1 . PRO 41 41 19968 1 . GLU 42 42 19968 1 . GLY 43 43 19968 1 . LYS 44 44 19968 1 . TRP 45 45 19968 1 . SER 46 46 19968 1 . CYS 47 47 19968 1 . PRO 48 48 19968 1 . HIS 49 49 19968 1 . CYS 50 50 19968 1 . GLU 51 51 19968 1 . LYS 52 52 19968 1 . GLU 53 53 19968 1 . GLY 54 54 19968 1 . ILE 55 55 19968 1 . GLN 56 56 19968 1 . TRP 57 57 19968 1 . GLU 58 58 19968 1 . ALA 59 59 19968 1 . LYS 60 60 19968 1 . GLU 61 61 19968 1 . ASP 62 62 19968 1 . ASN 63 63 19968 1 . SER 64 64 19968 1 . GLU 65 65 19968 1 . GLY 66 66 19968 1 . GLU 67 67 19968 1 . GLU 68 68 19968 1 . ILE 69 69 19968 1 . LEU 70 70 19968 1 . GLU 71 71 19968 1 . GLU 72 72 19968 1 . VAL 73 73 19968 1 . GLY 74 74 19968 1 . GLY 75 75 19968 1 . ASP 76 76 19968 1 . PRO 77 77 19968 1 . GLU 78 78 19968 1 . GLU 79 79 19968 1 . GLU 80 80 19968 1 . ASP 81 81 19968 1 . ASP 82 82 19968 1 . HIS 83 83 19968 1 . HIS 84 84 19968 1 . MET 85 85 19968 1 . GLU 86 86 19968 1 . PHE 87 87 19968 1 . CYS 88 88 19968 1 . ARG 89 89 19968 1 . VAL 90 90 19968 1 . CYS 91 91 19968 1 . LYS 92 92 19968 1 . ASP 93 93 19968 1 . GLY 94 94 19968 1 . GLY 95 95 19968 1 . GLU 96 96 19968 1 . LEU 97 97 19968 1 . LEU 98 98 19968 1 . CYS 99 99 19968 1 . CYS 100 100 19968 1 . ASP 101 101 19968 1 . THR 102 102 19968 1 . CYS 103 103 19968 1 . PRO 104 104 19968 1 . SER 105 105 19968 1 . SER 106 106 19968 1 . TYR 107 107 19968 1 . HIS 108 108 19968 1 . ILE 109 109 19968 1 . HIS 110 110 19968 1 . CYS 111 111 19968 1 . LEU 112 112 19968 1 . ASN 113 113 19968 1 . PRO 114 114 19968 1 . PRO 115 115 19968 1 . LEU 116 116 19968 1 . PRO 117 117 19968 1 . GLU 118 118 19968 1 . ILE 119 119 19968 1 . PRO 120 120 19968 1 . ASN 121 121 19968 1 . GLY 122 122 19968 1 . GLU 123 123 19968 1 . TRP 124 124 19968 1 . LEU 125 125 19968 1 . CYS 126 126 19968 1 . PRO 127 127 19968 1 . ARG 128 128 19968 1 . CYS 129 129 19968 1 . THR 130 130 19968 1 . CYS 131 131 19968 1 . PRO 132 132 19968 1 . ALA 133 133 19968 1 . LEU 134 134 19968 1 . LYS 135 135 19968 1 . GLY 136 136 19968 1 . LYS 137 137 19968 1 . LYS 138 138 19968 1 . LEU 139 139 19968 1 . GLU 140 140 19968 1 . HIS 141 141 19968 1 . HIS 142 142 19968 1 . HIS 143 143 19968 1 . HIS 144 144 19968 1 . HIS 145 145 19968 1 . HIS 146 146 19968 1 . HIS 147 147 19968 1 . HIS 148 148 19968 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19968 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19968 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19968 2 ZN 'Three letter code' 19968 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19968 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19968 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $dPHD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CHD4 . 19968 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19968 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $dPHD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'Rosetta (DE3)pLysS' . . . . pTriEx2 . . . 19968 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19968 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19968 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19968 ZN [Zn++] SMILES CACTVS 3.341 19968 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19968 ZN [Zn+2] SMILES ACDLabs 10.04 19968 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19968 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19968 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19968 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19968 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19968 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19968 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 dPHD '[U-99% 15N]' . . 1 $dPHD . . 1 . . mM . . . . 19968 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 19968 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19968 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19968 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19968 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19968 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19968 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 dPHD '[U-99% 13C; U-99% 15N]' . . 1 $dPHD . . 1 . . mM . . . . 19968 2 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19968 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 19968 2 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19968 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19968 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19968 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19968 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 19968 1 pH 7.5 . pH 19968 1 pressure 1 . atm 19968 1 temperature 298 . K 19968 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19968 _Software.ID 1 _Software.Name NMRPipe _Software.Version 'June 2006 Sun Solaris' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19968 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19968 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 19968 _Software.ID 2 _Software.Name Analysis _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19968 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19968 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19968 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19968 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'home-built console base on the GE-Omega data acquisition system equipped with triple-axis gradient triple resonance probe' _NMR_spectrometer.Manufacturer 'home built' _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19968 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'home-built console base on the GE-Omega data acquisition system equipped with triple-axis gradient triple resonance probe' _NMR_spectrometer.Manufacturer 'home built' _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19968 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19968 1 2 spectrometer_2 'home built' OMEGA . 750 'home-built console base on the GE-Omega data acquisition system equipped with triple-axis gradient triple resonance probe' . . 19968 1 3 spectrometer_3 'home built' OMEGA . 950 'home-built console base on the GE-Omega data acquisition system equipped with triple-axis gradient triple resonance probe' . . 19968 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19968 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19968 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19968 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19968 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 6 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 12 '3D (H)C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 13 '3D NH(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19968 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19968 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.75 internal indirect 0.251449530 . . . . . 19968 1 H 1 water protons . . . . ppm 4.75 internal direct 1.0 . . . . . 19968 1 N 15 water protons . . . . ppm 4.75 internal indirect 0.101329118 . . . . . 19968 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19968 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'approximated from digital resolution' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19968 1 2 '3D 1H-15N NOESY' . . . 19968 1 3 '3D 1H-15N TOCSY' . . . 19968 1 4 '3D HNCA' . . . 19968 1 5 '3D HN(CO)CA' . . . 19968 1 6 '3D CBCANH' . . . 19968 1 7 '3D CBCA(CO)NH' . . . 19968 1 8 '3D HNCO' . . . 19968 1 9 '3D HCCH-TOCSY' . . . 19968 1 10 '3D HBHA(CO)NH' . . . 19968 1 11 '3D H(CCO)NH' . . . 19968 1 12 '3D (H)C(CO)NH' . . . 19968 1 13 '3D NH(CA)CO' . . . 19968 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 19968 1 2 $Analysis . . 19968 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.298 0.020 . 1 . . . . 2 Glu HA . 19968 1 2 . 1 1 2 2 GLU HB2 H 1 1.892 0.020 . 2 . . . . 2 Glu HB2 . 19968 1 3 . 1 1 2 2 GLU HB3 H 1 2.010 0.020 . 2 . . . . 2 Glu HB3 . 19968 1 4 . 1 1 2 2 GLU HG3 H 1 2.219 0.020 . 1 . . . . 2 Glu HG3 . 19968 1 5 . 1 1 2 2 GLU C C 13 175.544 0.200 . 1 . . . . 2 Glu C . 19968 1 6 . 1 1 2 2 GLU CA C 13 56.933 0.200 . 1 . . . . 2 Glu CA . 19968 1 7 . 1 1 2 2 GLU CB C 13 30.355 0.200 . 1 . . . . 2 Glu CB . 19968 1 8 . 1 1 2 2 GLU CG C 13 36.262 0.200 . 1 . . . . 2 Glu CG . 19968 1 9 . 1 1 3 3 THR H H 1 7.992 0.020 . 1 . . . . 3 Thr H . 19968 1 10 . 1 1 3 3 THR HA H 1 4.275 0.020 . 1 . . . . 3 Thr HA . 19968 1 11 . 1 1 3 3 THR HB H 1 4.134 0.020 . 1 . . . . 3 Thr HB . 19968 1 12 . 1 1 3 3 THR HG21 H 1 0.982 0.020 . 1 . . . . 3 Thr HG21 . 19968 1 13 . 1 1 3 3 THR HG22 H 1 0.982 0.020 . 1 . . . . 3 Thr HG22 . 19968 1 14 . 1 1 3 3 THR HG23 H 1 0.982 0.020 . 1 . . . . 3 Thr HG23 . 19968 1 15 . 1 1 3 3 THR C C 13 173.231 0.200 . 1 . . . . 3 Thr C . 19968 1 16 . 1 1 3 3 THR CA C 13 61.225 0.200 . 1 . . . . 3 Thr CA . 19968 1 17 . 1 1 3 3 THR CB C 13 69.922 0.200 . 1 . . . . 3 Thr CB . 19968 1 18 . 1 1 3 3 THR N N 15 112.835 0.200 . 1 . . . . 3 Thr N . 19968 1 19 . 1 1 4 4 ASP H H 1 8.159 0.020 . 1 . . . . 4 Asp H . 19968 1 20 . 1 1 4 4 ASP HA H 1 4.616 0.020 . 1 . . . . 4 Asp HA . 19968 1 21 . 1 1 4 4 ASP HB2 H 1 2.572 0.020 . 2 . . . . 4 Asp HB2 . 19968 1 22 . 1 1 4 4 ASP HB3 H 1 2.664 0.020 . 2 . . . . 4 Asp HB3 . 19968 1 23 . 1 1 4 4 ASP C C 13 174.902 0.200 . 1 . . . . 4 Asp C . 19968 1 24 . 1 1 4 4 ASP CA C 13 54.486 0.200 . 1 . . . . 4 Asp CA . 19968 1 25 . 1 1 4 4 ASP CB C 13 41.516 0.200 . 1 . . . . 4 Asp CB . 19968 1 26 . 1 1 4 4 ASP N N 15 120.821 0.200 . 1 . . . . 4 Asp N . 19968 1 27 . 1 1 5 5 HIS H H 1 8.195 0.020 . 1 . . . . 5 His H . 19968 1 28 . 1 1 5 5 HIS HA H 1 4.907 0.020 . 1 . . . . 5 His HA . 19968 1 29 . 1 1 5 5 HIS HB2 H 1 2.859 0.020 . 2 . . . . 5 His HB2 . 19968 1 30 . 1 1 5 5 HIS HB3 H 1 3.307 0.020 . 2 . . . . 5 His HB3 . 19968 1 31 . 1 1 5 5 HIS HD2 H 1 7.645 0.020 . 1 . . . . 5 His HD2 . 19968 1 32 . 1 1 5 5 HIS HE1 H 1 8.774 0.020 . 1 . . . . 5 His HE1 . 19968 1 33 . 1 1 5 5 HIS C C 13 174.741 0.200 . 1 . . . . 5 His C . 19968 1 34 . 1 1 5 5 HIS CA C 13 56.612 0.200 . 1 . . . . 5 His CA . 19968 1 35 . 1 1 5 5 HIS CB C 13 32.733 0.200 . 1 . . . . 5 His CB . 19968 1 36 . 1 1 5 5 HIS N N 15 115.418 0.200 . 1 . . . . 5 His N . 19968 1 37 . 1 1 6 6 GLN H H 1 8.598 0.020 . 1 . . . . 6 Gln H . 19968 1 38 . 1 1 6 6 GLN HA H 1 4.371 0.020 . 1 . . . . 6 Gln HA . 19968 1 39 . 1 1 6 6 GLN HB2 H 1 1.630 0.020 . 2 . . . . 6 Gln HB2 . 19968 1 40 . 1 1 6 6 GLN HB3 H 1 1.834 0.020 . 2 . . . . 6 Gln HB3 . 19968 1 41 . 1 1 6 6 GLN HG2 H 1 2.408 0.020 . 2 . . . . 6 Gln HG2 . 19968 1 42 . 1 1 6 6 GLN HG3 H 1 2.052 0.020 . 2 . . . . 6 Gln HG3 . 19968 1 43 . 1 1 6 6 GLN HE21 H 1 7.266 0.020 . 1 . . . . 6 Gln HE21 . 19968 1 44 . 1 1 6 6 GLN HE22 H 1 6.879 0.020 . 1 . . . . 6 Gln HE22 . 19968 1 45 . 1 1 6 6 GLN C C 13 173.900 0.200 . 1 . . . . 6 Gln C . 19968 1 46 . 1 1 6 6 GLN CA C 13 54.741 0.200 . 1 . . . . 6 Gln CA . 19968 1 47 . 1 1 6 6 GLN CB C 13 28.293 0.200 . 1 . . . . 6 Gln CB . 19968 1 48 . 1 1 6 6 GLN CG C 13 32.482 0.200 . 1 . . . . 6 Gln CG . 19968 1 49 . 1 1 6 6 GLN CD C 13 179.091 0.200 . 1 . . . . 6 Gln CD . 19968 1 50 . 1 1 6 6 GLN N N 15 118.000 0.200 . 1 . . . . 6 Gln N . 19968 1 51 . 1 1 6 6 GLN NE2 N 15 108.717 0.200 . 1 . . . . 6 Gln NE2 . 19968 1 52 . 1 1 7 7 ASP H H 1 7.975 0.020 . 1 . . . . 7 Asp H . 19968 1 53 . 1 1 7 7 ASP HA H 1 4.505 0.020 . 1 . . . . 7 Asp HA . 19968 1 54 . 1 1 7 7 ASP HB2 H 1 2.573 0.020 . 2 . . . . 7 Asp HB2 . 19968 1 55 . 1 1 7 7 ASP HB3 H 1 2.855 0.020 . 2 . . . . 7 Asp HB3 . 19968 1 56 . 1 1 7 7 ASP C C 13 173.723 0.200 . 1 . . . . 7 Asp C . 19968 1 57 . 1 1 7 7 ASP CA C 13 52.605 0.200 . 1 . . . . 7 Asp CA . 19968 1 58 . 1 1 7 7 ASP CB C 13 40.582 0.200 . 1 . . . . 7 Asp CB . 19968 1 59 . 1 1 7 7 ASP N N 15 115.658 0.200 . 1 . . . . 7 Asp N . 19968 1 60 . 1 1 8 8 TYR H H 1 6.441 0.020 . 1 . . . . 8 Tyr H . 19968 1 61 . 1 1 8 8 TYR HA H 1 4.473 0.020 . 1 . . . . 8 Tyr HA . 19968 1 62 . 1 1 8 8 TYR HB2 H 1 2.604 0.020 . 2 . . . . 8 Tyr HB2 . 19968 1 63 . 1 1 8 8 TYR HB3 H 1 2.259 0.020 . 2 . . . . 8 Tyr HB3 . 19968 1 64 . 1 1 8 8 TYR HD1 H 1 6.883 0.020 . 3 . . . . 8 Tyr HD1 . 19968 1 65 . 1 1 8 8 TYR HD2 H 1 6.883 0.020 . 3 . . . . 8 Tyr HD2 . 19968 1 66 . 1 1 8 8 TYR HE1 H 1 6.754 0.020 . 3 . . . . 8 Tyr HE1 . 19968 1 67 . 1 1 8 8 TYR HE2 H 1 6.754 0.020 . 3 . . . . 8 Tyr HE2 . 19968 1 68 . 1 1 8 8 TYR C C 13 171.281 0.200 . 1 . . . . 8 Tyr C . 19968 1 69 . 1 1 8 8 TYR CA C 13 53.683 0.200 . 1 . . . . 8 Tyr CA . 19968 1 70 . 1 1 8 8 TYR CB C 13 40.650 0.200 . 1 . . . . 8 Tyr CB . 19968 1 71 . 1 1 8 8 TYR N N 15 111.698 0.200 . 1 . . . . 8 Tyr N . 19968 1 72 . 1 1 9 9 CYS H H 1 8.342 0.020 . 1 . . . . 9 Cys H . 19968 1 73 . 1 1 9 9 CYS HA H 1 3.966 0.020 . 1 . . . . 9 Cys HA . 19968 1 74 . 1 1 9 9 CYS HB2 H 1 1.742 0.020 . 2 . . . . 9 Cys HB2 . 19968 1 75 . 1 1 9 9 CYS HB3 H 1 3.428 0.020 . 2 . . . . 9 Cys HB3 . 19968 1 76 . 1 1 9 9 CYS C C 13 175.959 0.200 . 1 . . . . 9 Cys C . 19968 1 77 . 1 1 9 9 CYS CA C 13 57.222 0.200 . 1 . . . . 9 Cys CA . 19968 1 78 . 1 1 9 9 CYS CB C 13 31.687 0.200 . 1 . . . . 9 Cys CB . 19968 1 79 . 1 1 9 9 CYS N N 15 120.220 0.200 . 1 . . . . 9 Cys N . 19968 1 80 . 1 1 10 10 GLU H H 1 8.814 0.020 . 1 . . . . 10 Glu H . 19968 1 81 . 1 1 10 10 GLU HA H 1 4.125 0.020 . 1 . . . . 10 Glu HA . 19968 1 82 . 1 1 10 10 GLU HB2 H 1 1.406 0.020 . 2 . . . . 10 Glu HB2 . 19968 1 83 . 1 1 10 10 GLU HB3 H 1 1.657 0.020 . 2 . . . . 10 Glu HB3 . 19968 1 84 . 1 1 10 10 GLU HG2 H 1 2.403 0.020 . 2 . . . . 10 Glu HG2 . 19968 1 85 . 1 1 10 10 GLU HG3 H 1 2.397 0.020 . 2 . . . . 10 Glu HG3 . 19968 1 86 . 1 1 10 10 GLU C C 13 175.901 0.200 . 1 . . . . 10 Glu C . 19968 1 87 . 1 1 10 10 GLU CA C 13 57.570 0.200 . 1 . . . . 10 Glu CA . 19968 1 88 . 1 1 10 10 GLU CB C 13 31.625 0.200 . 1 . . . . 10 Glu CB . 19968 1 89 . 1 1 10 10 GLU CG C 13 33.974 0.200 . 1 . . . . 10 Glu CG . 19968 1 90 . 1 1 10 10 GLU N N 15 129.406 0.200 . 1 . . . . 10 Glu N . 19968 1 91 . 1 1 11 11 VAL H H 1 8.806 0.020 . 1 . . . . 11 Val H . 19968 1 92 . 1 1 11 11 VAL HA H 1 4.001 0.020 . 1 . . . . 11 Val HA . 19968 1 93 . 1 1 11 11 VAL HB H 1 2.296 0.020 . 1 . . . . 11 Val HB . 19968 1 94 . 1 1 11 11 VAL HG11 H 1 1.138 0.020 . 2 . . . . 11 Val HG11 . 19968 1 95 . 1 1 11 11 VAL HG12 H 1 1.138 0.020 . 2 . . . . 11 Val HG12 . 19968 1 96 . 1 1 11 11 VAL HG13 H 1 1.138 0.020 . 2 . . . . 11 Val HG13 . 19968 1 97 . 1 1 11 11 VAL HG21 H 1 1.301 0.020 . 2 . . . . 11 Val HG21 . 19968 1 98 . 1 1 11 11 VAL HG22 H 1 1.301 0.020 . 2 . . . . 11 Val HG22 . 19968 1 99 . 1 1 11 11 VAL HG23 H 1 1.301 0.020 . 2 . . . . 11 Val HG23 . 19968 1 100 . 1 1 11 11 VAL C C 13 176.646 0.200 . 1 . . . . 11 Val C . 19968 1 101 . 1 1 11 11 VAL CA C 13 65.421 0.200 . 1 . . . . 11 Val CA . 19968 1 102 . 1 1 11 11 VAL CB C 13 33.198 0.200 . 1 . . . . 11 Val CB . 19968 1 103 . 1 1 11 11 VAL CG1 C 13 20.840 0.200 . 2 . . . . 11 Val CG1 . 19968 1 104 . 1 1 11 11 VAL CG2 C 13 21.711 0.200 . 2 . . . . 11 Val CG2 . 19968 1 105 . 1 1 11 11 VAL N N 15 117.887 0.200 . 1 . . . . 11 Val N . 19968 1 106 . 1 1 12 12 CYS H H 1 7.938 0.020 . 1 . . . . 12 Cys H . 19968 1 107 . 1 1 12 12 CYS HA H 1 5.022 0.020 . 1 . . . . 12 Cys HA . 19968 1 108 . 1 1 12 12 CYS HB2 H 1 2.958 0.020 . 2 . . . . 12 Cys HB2 . 19968 1 109 . 1 1 12 12 CYS HB3 H 1 3.378 0.020 . 2 . . . . 12 Cys HB3 . 19968 1 110 . 1 1 12 12 CYS C C 13 175.293 0.200 . 1 . . . . 12 Cys C . 19968 1 111 . 1 1 12 12 CYS CA C 13 58.850 0.200 . 1 . . . . 12 Cys CA . 19968 1 112 . 1 1 12 12 CYS CB C 13 31.688 0.200 . 1 . . . . 12 Cys CB . 19968 1 113 . 1 1 12 12 CYS N N 15 115.567 0.200 . 1 . . . . 12 Cys N . 19968 1 114 . 1 1 13 13 GLN H H 1 8.438 0.020 . 1 . . . . 13 Gln H . 19968 1 115 . 1 1 13 13 GLN HA H 1 4.082 0.020 . 1 . . . . 13 Gln HA . 19968 1 116 . 1 1 13 13 GLN HB2 H 1 2.157 0.020 . 2 . . . . 13 Gln HB2 . 19968 1 117 . 1 1 13 13 GLN HB3 H 1 2.359 0.020 . 2 . . . . 13 Gln HB3 . 19968 1 118 . 1 1 13 13 GLN HG2 H 1 2.120 0.020 . 2 . . . . 13 Gln HG2 . 19968 1 119 . 1 1 13 13 GLN HG3 H 1 2.188 0.020 . 2 . . . . 13 Gln HG3 . 19968 1 120 . 1 1 13 13 GLN HE21 H 1 7.137 0.020 . 1 . . . . 13 Gln HE21 . 19968 1 121 . 1 1 13 13 GLN HE22 H 1 6.575 0.020 . 1 . . . . 13 Gln HE22 . 19968 1 122 . 1 1 13 13 GLN C C 13 173.705 0.200 . 1 . . . . 13 Gln C . 19968 1 123 . 1 1 13 13 GLN CA C 13 58.353 0.200 . 1 . . . . 13 Gln CA . 19968 1 124 . 1 1 13 13 GLN CB C 13 25.767 0.200 . 1 . . . . 13 Gln CB . 19968 1 125 . 1 1 13 13 GLN CG C 13 34.666 0.200 . 1 . . . . 13 Gln CG . 19968 1 126 . 1 1 13 13 GLN CD C 13 179.566 0.200 . 1 . . . . 13 Gln CD . 19968 1 127 . 1 1 13 13 GLN N N 15 115.884 0.200 . 1 . . . . 13 Gln N . 19968 1 128 . 1 1 13 13 GLN NE2 N 15 111.542 0.200 . 1 . . . . 13 Gln NE2 . 19968 1 129 . 1 1 14 14 GLN H H 1 8.403 0.020 . 1 . . . . 14 Gln H . 19968 1 130 . 1 1 14 14 GLN HA H 1 4.860 0.020 . 1 . . . . 14 Gln HA . 19968 1 131 . 1 1 14 14 GLN HB2 H 1 2.447 0.020 . 2 . . . . 14 Gln HB2 . 19968 1 132 . 1 1 14 14 GLN HB3 H 1 2.334 0.020 . 2 . . . . 14 Gln HB3 . 19968 1 133 . 1 1 14 14 GLN HG2 H 1 2.506 0.020 . 2 . . . . 14 Gln HG2 . 19968 1 134 . 1 1 14 14 GLN HG3 H 1 2.502 0.020 . 2 . . . . 14 Gln HG3 . 19968 1 135 . 1 1 14 14 GLN HE21 H 1 6.908 0.020 . 1 . . . . 14 Gln HE21 . 19968 1 136 . 1 1 14 14 GLN HE22 H 1 7.399 0.020 . 1 . . . . 14 Gln HE22 . 19968 1 137 . 1 1 14 14 GLN C C 13 175.683 0.200 . 1 . . . . 14 Gln C . 19968 1 138 . 1 1 14 14 GLN CA C 13 54.348 0.200 . 1 . . . . 14 Gln CA . 19968 1 139 . 1 1 14 14 GLN CB C 13 31.356 0.200 . 1 . . . . 14 Gln CB . 19968 1 140 . 1 1 14 14 GLN CG C 13 33.998 0.200 . 1 . . . . 14 Gln CG . 19968 1 141 . 1 1 14 14 GLN CD C 13 179.781 0.200 . 1 . . . . 14 Gln CD . 19968 1 142 . 1 1 14 14 GLN N N 15 117.176 0.200 . 1 . . . . 14 Gln N . 19968 1 143 . 1 1 14 14 GLN NE2 N 15 111.886 0.200 . 1 . . . . 14 Gln NE2 . 19968 1 144 . 1 1 15 15 GLY H H 1 8.570 0.020 . 1 . . . . 15 Gly H . 19968 1 145 . 1 1 15 15 GLY HA2 H 1 3.907 0.020 . 2 . . . . 15 Gly HA2 . 19968 1 146 . 1 1 15 15 GLY HA3 H 1 4.448 0.020 . 2 . . . . 15 Gly HA3 . 19968 1 147 . 1 1 15 15 GLY C C 13 173.581 0.200 . 1 . . . . 15 Gly C . 19968 1 148 . 1 1 15 15 GLY CA C 13 44.069 0.200 . 1 . . . . 15 Gly CA . 19968 1 149 . 1 1 15 15 GLY N N 15 106.918 0.200 . 1 . . . . 15 Gly N . 19968 1 150 . 1 1 16 16 GLY H H 1 8.661 0.020 . 1 . . . . 16 Gly H . 19968 1 151 . 1 1 16 16 GLY HA2 H 1 4.597 0.020 . 2 . . . . 16 Gly HA2 . 19968 1 152 . 1 1 16 16 GLY HA3 H 1 3.696 0.020 . 2 . . . . 16 Gly HA3 . 19968 1 153 . 1 1 16 16 GLY C C 13 172.360 0.200 . 1 . . . . 16 Gly C . 19968 1 154 . 1 1 16 16 GLY CA C 13 44.813 0.200 . 1 . . . . 16 Gly CA . 19968 1 155 . 1 1 16 16 GLY N N 15 109.543 0.200 . 1 . . . . 16 Gly N . 19968 1 156 . 1 1 17 17 GLU H H 1 8.887 0.020 . 1 . . . . 17 Glu H . 19968 1 157 . 1 1 17 17 GLU HA H 1 4.339 0.020 . 1 . . . . 17 Glu HA . 19968 1 158 . 1 1 17 17 GLU HB2 H 1 2.032 0.020 . 2 . . . . 17 Glu HB2 . 19968 1 159 . 1 1 17 17 GLU HB3 H 1 2.107 0.020 . 2 . . . . 17 Glu HB3 . 19968 1 160 . 1 1 17 17 GLU HG2 H 1 2.233 0.020 . 2 . . . . 17 Glu HG2 . 19968 1 161 . 1 1 17 17 GLU HG3 H 1 2.227 0.020 . 2 . . . . 17 Glu HG3 . 19968 1 162 . 1 1 17 17 GLU C C 13 174.577 0.200 . 1 . . . . 17 Glu C . 19968 1 163 . 1 1 17 17 GLU CA C 13 56.629 0.200 . 1 . . . . 17 Glu CA . 19968 1 164 . 1 1 17 17 GLU CB C 13 28.486 0.200 . 1 . . . . 17 Glu CB . 19968 1 165 . 1 1 17 17 GLU CG C 13 36.303 0.200 . 1 . . . . 17 Glu CG . 19968 1 166 . 1 1 17 17 GLU N N 15 124.437 0.200 . 1 . . . . 17 Glu N . 19968 1 167 . 1 1 18 18 ILE H H 1 7.901 0.020 . 1 . . . . 18 Ile H . 19968 1 168 . 1 1 18 18 ILE HA H 1 4.648 0.020 . 1 . . . . 18 Ile HA . 19968 1 169 . 1 1 18 18 ILE HB H 1 1.445 0.020 . 1 . . . . 18 Ile HB . 19968 1 170 . 1 1 18 18 ILE HG12 H 1 1.062 0.020 . 2 . . . . 18 Ile HG12 . 19968 1 171 . 1 1 18 18 ILE HG13 H 1 1.176 0.020 . 2 . . . . 18 Ile HG13 . 19968 1 172 . 1 1 18 18 ILE HG21 H 1 0.041 0.020 . 1 . . . . 18 Ile HG21 . 19968 1 173 . 1 1 18 18 ILE HG22 H 1 0.041 0.020 . 1 . . . . 18 Ile HG22 . 19968 1 174 . 1 1 18 18 ILE HG23 H 1 0.041 0.020 . 1 . . . . 18 Ile HG23 . 19968 1 175 . 1 1 18 18 ILE HD11 H 1 0.390 0.020 . 1 . . . . 18 Ile HD11 . 19968 1 176 . 1 1 18 18 ILE HD12 H 1 0.390 0.020 . 1 . . . . 18 Ile HD12 . 19968 1 177 . 1 1 18 18 ILE HD13 H 1 0.390 0.020 . 1 . . . . 18 Ile HD13 . 19968 1 178 . 1 1 18 18 ILE C C 13 174.207 0.200 . 1 . . . . 18 Ile C . 19968 1 179 . 1 1 18 18 ILE CA C 13 59.366 0.200 . 1 . . . . 18 Ile CA . 19968 1 180 . 1 1 18 18 ILE CB C 13 40.834 0.200 . 1 . . . . 18 Ile CB . 19968 1 181 . 1 1 18 18 ILE CG1 C 13 23.545 0.200 . 1 . . . . 18 Ile CG1 . 19968 1 182 . 1 1 18 18 ILE CG2 C 13 17.392 0.200 . 1 . . . . 18 Ile CG2 . 19968 1 183 . 1 1 18 18 ILE CD1 C 13 12.512 0.200 . 1 . . . . 18 Ile CD1 . 19968 1 184 . 1 1 18 18 ILE N N 15 118.103 0.200 . 1 . . . . 18 Ile N . 19968 1 185 . 1 1 19 19 ILE H H 1 9.197 0.020 . 1 . . . . 19 Ile H . 19968 1 186 . 1 1 19 19 ILE HA H 1 4.337 0.020 . 1 . . . . 19 Ile HA . 19968 1 187 . 1 1 19 19 ILE HB H 1 1.629 0.020 . 1 . . . . 19 Ile HB . 19968 1 188 . 1 1 19 19 ILE HG12 H 1 0.990 0.020 . 2 . . . . 19 Ile HG12 . 19968 1 189 . 1 1 19 19 ILE HG13 H 1 1.292 0.020 . 2 . . . . 19 Ile HG13 . 19968 1 190 . 1 1 19 19 ILE HG21 H 1 0.552 0.020 . 1 . . . . 19 Ile HG21 . 19968 1 191 . 1 1 19 19 ILE HG22 H 1 0.552 0.020 . 1 . . . . 19 Ile HG22 . 19968 1 192 . 1 1 19 19 ILE HG23 H 1 0.552 0.020 . 1 . . . . 19 Ile HG23 . 19968 1 193 . 1 1 19 19 ILE HD11 H 1 0.108 0.020 . 1 . . . . 19 Ile HD11 . 19968 1 194 . 1 1 19 19 ILE HD12 H 1 0.108 0.020 . 1 . . . . 19 Ile HD12 . 19968 1 195 . 1 1 19 19 ILE HD13 H 1 0.108 0.020 . 1 . . . . 19 Ile HD13 . 19968 1 196 . 1 1 19 19 ILE C C 13 174.425 0.200 . 1 . . . . 19 Ile C . 19968 1 197 . 1 1 19 19 ILE CA C 13 59.772 0.200 . 1 . . . . 19 Ile CA . 19968 1 198 . 1 1 19 19 ILE CB C 13 39.431 0.200 . 1 . . . . 19 Ile CB . 19968 1 199 . 1 1 19 19 ILE CG1 C 13 26.586 0.200 . 1 . . . . 19 Ile CG1 . 19968 1 200 . 1 1 19 19 ILE CG2 C 13 17.668 0.200 . 1 . . . . 19 Ile CG2 . 19968 1 201 . 1 1 19 19 ILE CD1 C 13 13.125 0.200 . 1 . . . . 19 Ile CD1 . 19968 1 202 . 1 1 19 19 ILE N N 15 120.199 0.200 . 1 . . . . 19 Ile N . 19968 1 203 . 1 1 20 20 LEU H H 1 8.452 0.020 . 1 . . . . 20 Leu H . 19968 1 204 . 1 1 20 20 LEU HA H 1 4.671 0.020 . 1 . . . . 20 Leu HA . 19968 1 205 . 1 1 20 20 LEU HB2 H 1 0.313 0.020 . 2 . . . . 20 Leu HB2 . 19968 1 206 . 1 1 20 20 LEU HB3 H 1 1.536 0.020 . 2 . . . . 20 Leu HB3 . 19968 1 207 . 1 1 20 20 LEU HG H 1 1.546 0.020 . 1 . . . . 20 Leu HG . 19968 1 208 . 1 1 20 20 LEU HD11 H 1 0.582 0.020 . 2 . . . . 20 Leu HD11 . 19968 1 209 . 1 1 20 20 LEU HD12 H 1 0.582 0.020 . 2 . . . . 20 Leu HD12 . 19968 1 210 . 1 1 20 20 LEU HD13 H 1 0.582 0.020 . 2 . . . . 20 Leu HD13 . 19968 1 211 . 1 1 20 20 LEU HD21 H 1 0.547 0.020 . 2 . . . . 20 Leu HD21 . 19968 1 212 . 1 1 20 20 LEU HD22 H 1 0.547 0.020 . 2 . . . . 20 Leu HD22 . 19968 1 213 . 1 1 20 20 LEU HD23 H 1 0.547 0.020 . 2 . . . . 20 Leu HD23 . 19968 1 214 . 1 1 20 20 LEU C C 13 175.880 0.200 . 1 . . . . 20 Leu C . 19968 1 215 . 1 1 20 20 LEU CA C 13 53.929 0.200 . 1 . . . . 20 Leu CA . 19968 1 216 . 1 1 20 20 LEU CB C 13 41.332 0.200 . 1 . . . . 20 Leu CB . 19968 1 217 . 1 1 20 20 LEU CG C 13 27.004 0.200 . 1 . . . . 20 Leu CG . 19968 1 218 . 1 1 20 20 LEU CD1 C 13 24.712 0.200 . 2 . . . . 20 Leu CD1 . 19968 1 219 . 1 1 20 20 LEU CD2 C 13 23.056 0.200 . 2 . . . . 20 Leu CD2 . 19968 1 220 . 1 1 20 20 LEU N N 15 122.615 0.200 . 1 . . . . 20 Leu N . 19968 1 221 . 1 1 21 21 CYS H H 1 8.586 0.020 . 1 . . . . 21 Cys H . 19968 1 222 . 1 1 21 21 CYS HA H 1 4.613 0.020 . 1 . . . . 21 Cys HA . 19968 1 223 . 1 1 21 21 CYS HB2 H 1 2.503 0.020 . 2 . . . . 21 Cys HB2 . 19968 1 224 . 1 1 21 21 CYS HB3 H 1 3.662 0.020 . 2 . . . . 21 Cys HB3 . 19968 1 225 . 1 1 21 21 CYS C C 13 176.021 0.200 . 1 . . . . 21 Cys C . 19968 1 226 . 1 1 21 21 CYS CA C 13 61.448 0.200 . 1 . . . . 21 Cys CA . 19968 1 227 . 1 1 21 21 CYS CB C 13 30.301 0.200 . 1 . . . . 21 Cys CB . 19968 1 228 . 1 1 21 21 CYS N N 15 124.310 0.200 . 1 . . . . 21 Cys N . 19968 1 229 . 1 1 22 22 ASP H H 1 9.134 0.020 . 1 . . . . 22 Asp H . 19968 1 230 . 1 1 22 22 ASP HA H 1 5.123 0.020 . 1 . . . . 22 Asp HA . 19968 1 231 . 1 1 22 22 ASP HB2 H 1 2.819 0.020 . 2 . . . . 22 Asp HB2 . 19968 1 232 . 1 1 22 22 ASP HB3 H 1 2.932 0.020 . 2 . . . . 22 Asp HB3 . 19968 1 233 . 1 1 22 22 ASP C C 13 177.129 0.200 . 1 . . . . 22 Asp C . 19968 1 234 . 1 1 22 22 ASP CA C 13 58.079 0.200 . 1 . . . . 22 Asp CA . 19968 1 235 . 1 1 22 22 ASP CB C 13 42.734 0.200 . 1 . . . . 22 Asp CB . 19968 1 236 . 1 1 22 22 ASP N N 15 125.898 0.200 . 1 . . . . 22 Asp N . 19968 1 237 . 1 1 23 23 THR H H 1 10.101 0.020 . 1 . . . . 23 Thr H . 19968 1 238 . 1 1 23 23 THR HA H 1 4.562 0.020 . 1 . . . . 23 Thr HA . 19968 1 239 . 1 1 23 23 THR HB H 1 4.747 0.020 . 1 . . . . 23 Thr HB . 19968 1 240 . 1 1 23 23 THR HG21 H 1 1.038 0.020 . 1 . . . . 23 Thr HG21 . 19968 1 241 . 1 1 23 23 THR HG22 H 1 1.038 0.020 . 1 . . . . 23 Thr HG22 . 19968 1 242 . 1 1 23 23 THR HG23 H 1 1.038 0.020 . 1 . . . . 23 Thr HG23 . 19968 1 243 . 1 1 23 23 THR C C 13 171.839 0.200 . 1 . . . . 23 Thr C . 19968 1 244 . 1 1 23 23 THR CA C 13 61.289 0.200 . 1 . . . . 23 Thr CA . 19968 1 245 . 1 1 23 23 THR CB C 13 69.618 0.200 . 1 . . . . 23 Thr CB . 19968 1 246 . 1 1 23 23 THR CG2 C 13 21.926 0.200 . 1 . . . . 23 Thr CG2 . 19968 1 247 . 1 1 23 23 THR N N 15 112.530 0.200 . 1 . . . . 23 Thr N . 19968 1 248 . 1 1 24 24 CYS H H 1 8.038 0.020 . 1 . . . . 24 Cys H . 19968 1 249 . 1 1 24 24 CYS HA H 1 3.914 0.020 . 1 . . . . 24 Cys HA . 19968 1 250 . 1 1 24 24 CYS HB2 H 1 2.908 0.020 . 2 . . . . 24 Cys HB2 . 19968 1 251 . 1 1 24 24 CYS HB3 H 1 2.736 0.020 . 2 . . . . 24 Cys HB3 . 19968 1 252 . 1 1 24 24 CYS C C 13 170.911 0.200 . 1 . . . . 24 Cys C . 19968 1 253 . 1 1 24 24 CYS CA C 13 58.917 0.200 . 1 . . . . 24 Cys CA . 19968 1 254 . 1 1 24 24 CYS CB C 13 30.044 0.200 . 1 . . . . 24 Cys CB . 19968 1 255 . 1 1 24 24 CYS N N 15 125.508 0.200 . 1 . . . . 24 Cys N . 19968 1 256 . 1 1 25 25 PRO HA H 1 4.275 0.020 . 1 . . . . 25 Pro HA . 19968 1 257 . 1 1 25 25 PRO HB2 H 1 1.962 0.020 . 2 . . . . 25 Pro HB2 . 19968 1 258 . 1 1 25 25 PRO HB3 H 1 2.239 0.020 . 2 . . . . 25 Pro HB3 . 19968 1 259 . 1 1 25 25 PRO HG2 H 1 1.880 0.020 . 2 . . . . 25 Pro HG2 . 19968 1 260 . 1 1 25 25 PRO HG3 H 1 1.851 0.020 . 2 . . . . 25 Pro HG3 . 19968 1 261 . 1 1 25 25 PRO HD2 H 1 3.281 0.020 . 2 . . . . 25 Pro HD2 . 19968 1 262 . 1 1 25 25 PRO HD3 H 1 3.342 0.020 . 2 . . . . 25 Pro HD3 . 19968 1 263 . 1 1 25 25 PRO C C 13 175.750 0.200 . 1 . . . . 25 Pro C . 19968 1 264 . 1 1 25 25 PRO CA C 13 64.281 0.200 . 1 . . . . 25 Pro CA . 19968 1 265 . 1 1 25 25 PRO CB C 13 32.004 0.200 . 1 . . . . 25 Pro CB . 19968 1 266 . 1 1 25 25 PRO CG C 13 27.204 0.200 . 1 . . . . 25 Pro CG . 19968 1 267 . 1 1 25 25 PRO CD C 13 50.268 0.200 . 1 . . . . 25 Pro CD . 19968 1 268 . 1 1 26 26 ARG H H 1 9.149 0.020 . 1 . . . . 26 Arg H . 19968 1 269 . 1 1 26 26 ARG HA H 1 3.784 0.020 . 1 . . . . 26 Arg HA . 19968 1 270 . 1 1 26 26 ARG HB2 H 1 1.820 0.020 . 2 . . . . 26 Arg HB2 . 19968 1 271 . 1 1 26 26 ARG HB3 H 1 2.019 0.020 . 2 . . . . 26 Arg HB3 . 19968 1 272 . 1 1 26 26 ARG HG2 H 1 1.420 0.020 . 2 . . . . 26 Arg HG2 . 19968 1 273 . 1 1 26 26 ARG HG3 H 1 1.430 0.020 . 2 . . . . 26 Arg HG3 . 19968 1 274 . 1 1 26 26 ARG C C 13 172.577 0.200 . 1 . . . . 26 Arg C . 19968 1 275 . 1 1 26 26 ARG CA C 13 58.371 0.200 . 1 . . . . 26 Arg CA . 19968 1 276 . 1 1 26 26 ARG CB C 13 31.790 0.200 . 1 . . . . 26 Arg CB . 19968 1 277 . 1 1 26 26 ARG CG C 13 29.695 0.200 . 1 . . . . 26 Arg CG . 19968 1 278 . 1 1 26 26 ARG N N 15 120.266 0.200 . 1 . . . . 26 Arg N . 19968 1 279 . 1 1 27 27 ALA H H 1 7.028 0.020 . 1 . . . . 27 Ala H . 19968 1 280 . 1 1 27 27 ALA HA H 1 5.587 0.020 . 1 . . . . 27 Ala HA . 19968 1 281 . 1 1 27 27 ALA HB1 H 1 1.064 0.020 . 1 . . . . 27 Ala HB1 . 19968 1 282 . 1 1 27 27 ALA HB2 H 1 1.064 0.020 . 1 . . . . 27 Ala HB2 . 19968 1 283 . 1 1 27 27 ALA HB3 H 1 1.064 0.020 . 1 . . . . 27 Ala HB3 . 19968 1 284 . 1 1 27 27 ALA C C 13 174.834 0.200 . 1 . . . . 27 Ala C . 19968 1 285 . 1 1 27 27 ALA CA C 13 50.118 0.200 . 1 . . . . 27 Ala CA . 19968 1 286 . 1 1 27 27 ALA CB C 13 24.484 0.200 . 1 . . . . 27 Ala CB . 19968 1 287 . 1 1 27 27 ALA N N 15 118.478 0.200 . 1 . . . . 27 Ala N . 19968 1 288 . 1 1 28 28 TYR H H 1 8.877 0.020 . 1 . . . . 28 Tyr H . 19968 1 289 . 1 1 28 28 TYR HA H 1 5.490 0.020 . 1 . . . . 28 Tyr HA . 19968 1 290 . 1 1 28 28 TYR HB2 H 1 3.021 0.020 . 2 . . . . 28 Tyr HB2 . 19968 1 291 . 1 1 28 28 TYR HB3 H 1 2.519 0.020 . 2 . . . . 28 Tyr HB3 . 19968 1 292 . 1 1 28 28 TYR HD1 H 1 7.094 0.020 . 3 . . . . 28 Tyr HD1 . 19968 1 293 . 1 1 28 28 TYR HD2 H 1 7.094 0.020 . 3 . . . . 28 Tyr HD2 . 19968 1 294 . 1 1 28 28 TYR HE1 H 1 6.907 0.020 . 3 . . . . 28 Tyr HE1 . 19968 1 295 . 1 1 28 28 TYR HE2 H 1 6.907 0.020 . 3 . . . . 28 Tyr HE2 . 19968 1 296 . 1 1 28 28 TYR C C 13 176.022 0.200 . 1 . . . . 28 Tyr C . 19968 1 297 . 1 1 28 28 TYR CA C 13 57.434 0.200 . 1 . . . . 28 Tyr CA . 19968 1 298 . 1 1 28 28 TYR CB C 13 44.518 0.200 . 1 . . . . 28 Tyr CB . 19968 1 299 . 1 1 28 28 TYR N N 15 113.587 0.200 . 1 . . . . 28 Tyr N . 19968 1 300 . 1 1 29 29 HIS H H 1 9.506 0.020 . 1 . . . . 29 His H . 19968 1 301 . 1 1 29 29 HIS HA H 1 4.970 0.020 . 1 . . . . 29 His HA . 19968 1 302 . 1 1 29 29 HIS HB2 H 1 3.513 0.020 . 2 . . . . 29 His HB2 . 19968 1 303 . 1 1 29 29 HIS HB3 H 1 3.764 0.020 . 2 . . . . 29 His HB3 . 19968 1 304 . 1 1 29 29 HIS HD2 H 1 7.412 0.020 . 1 . . . . 29 His HD2 . 19968 1 305 . 1 1 29 29 HIS HE1 H 1 7.412 0.020 . 1 . . . . 29 His HE1 . 19968 1 306 . 1 1 29 29 HIS C C 13 176.604 0.200 . 1 . . . . 29 His C . 19968 1 307 . 1 1 29 29 HIS CA C 13 57.863 0.200 . 1 . . . . 29 His CA . 19968 1 308 . 1 1 29 29 HIS CB C 13 31.390 0.200 . 1 . . . . 29 His CB . 19968 1 309 . 1 1 29 29 HIS N N 15 119.280 0.200 . 1 . . . . 29 His N . 19968 1 310 . 1 1 30 30 MET H H 1 9.379 0.020 . 1 . . . . 30 Met H . 19968 1 311 . 1 1 30 30 MET HA H 1 3.991 0.020 . 1 . . . . 30 Met HA . 19968 1 312 . 1 1 30 30 MET HB2 H 1 2.352 0.020 . 2 . . . . 30 Met HB2 . 19968 1 313 . 1 1 30 30 MET HB3 H 1 2.512 0.020 . 2 . . . . 30 Met HB3 . 19968 1 314 . 1 1 30 30 MET HG2 H 1 1.994 0.020 . 2 . . . . 30 Met HG2 . 19968 1 315 . 1 1 30 30 MET HG3 H 1 2.072 0.020 . 2 . . . . 30 Met HG3 . 19968 1 316 . 1 1 30 30 MET HE1 H 1 2.020 0.020 . 1 . . . . 30 Met HE1 . 19968 1 317 . 1 1 30 30 MET HE2 H 1 2.020 0.020 . 1 . . . . 30 Met HE2 . 19968 1 318 . 1 1 30 30 MET HE3 H 1 2.020 0.020 . 1 . . . . 30 Met HE3 . 19968 1 319 . 1 1 30 30 MET C C 13 177.661 0.200 . 1 . . . . 30 Met C . 19968 1 320 . 1 1 30 30 MET CA C 13 60.478 0.200 . 1 . . . . 30 Met CA . 19968 1 321 . 1 1 30 30 MET CB C 13 32.711 0.200 . 1 . . . . 30 Met CB . 19968 1 322 . 1 1 30 30 MET CE C 13 17.393 0.200 . 1 . . . . 30 Met CE . 19968 1 323 . 1 1 30 30 MET N N 15 124.023 0.200 . 1 . . . . 30 Met N . 19968 1 324 . 1 1 31 31 VAL H H 1 8.166 0.020 . 1 . . . . 31 Val H . 19968 1 325 . 1 1 31 31 VAL HA H 1 4.049 0.020 . 1 . . . . 31 Val HA . 19968 1 326 . 1 1 31 31 VAL HB H 1 2.220 0.020 . 1 . . . . 31 Val HB . 19968 1 327 . 1 1 31 31 VAL HG11 H 1 1.018 0.020 . 2 . . . . 31 Val HG11 . 19968 1 328 . 1 1 31 31 VAL HG12 H 1 1.018 0.020 . 2 . . . . 31 Val HG12 . 19968 1 329 . 1 1 31 31 VAL HG13 H 1 1.018 0.020 . 2 . . . . 31 Val HG13 . 19968 1 330 . 1 1 31 31 VAL HG21 H 1 1.038 0.020 . 2 . . . . 31 Val HG21 . 19968 1 331 . 1 1 31 31 VAL HG22 H 1 1.038 0.020 . 2 . . . . 31 Val HG22 . 19968 1 332 . 1 1 31 31 VAL HG23 H 1 1.038 0.020 . 2 . . . . 31 Val HG23 . 19968 1 333 . 1 1 31 31 VAL C C 13 176.104 0.200 . 1 . . . . 31 Val C . 19968 1 334 . 1 1 31 31 VAL CA C 13 64.201 0.200 . 1 . . . . 31 Val CA . 19968 1 335 . 1 1 31 31 VAL CB C 13 31.553 0.200 . 1 . . . . 31 Val CB . 19968 1 336 . 1 1 31 31 VAL CG1 C 13 20.100 0.200 . 2 . . . . 31 Val CG1 . 19968 1 337 . 1 1 31 31 VAL CG2 C 13 21.099 0.200 . 2 . . . . 31 Val CG2 . 19968 1 338 . 1 1 31 31 VAL N N 15 110.552 0.200 . 1 . . . . 31 Val N . 19968 1 339 . 1 1 32 32 CYS H H 1 6.909 0.020 . 1 . . . . 32 Cys H . 19968 1 340 . 1 1 32 32 CYS HA H 1 4.218 0.020 . 1 . . . . 32 Cys HA . 19968 1 341 . 1 1 32 32 CYS HB2 H 1 3.108 0.020 . 2 . . . . 32 Cys HB2 . 19968 1 342 . 1 1 32 32 CYS HB3 H 1 3.138 0.020 . 2 . . . . 32 Cys HB3 . 19968 1 343 . 1 1 32 32 CYS C C 13 175.446 0.200 . 1 . . . . 32 Cys C . 19968 1 344 . 1 1 32 32 CYS CA C 13 62.320 0.200 . 1 . . . . 32 Cys CA . 19968 1 345 . 1 1 32 32 CYS CB C 13 29.722 0.200 . 1 . . . . 32 Cys CB . 19968 1 346 . 1 1 32 32 CYS N N 15 117.603 0.200 . 1 . . . . 32 Cys N . 19968 1 347 . 1 1 33 33 LEU H H 1 7.473 0.020 . 1 . . . . 33 Leu H . 19968 1 348 . 1 1 33 33 LEU HA H 1 4.318 0.020 . 1 . . . . 33 Leu HA . 19968 1 349 . 1 1 33 33 LEU HB2 H 1 1.991 0.020 . 2 . . . . 33 Leu HB2 . 19968 1 350 . 1 1 33 33 LEU HB3 H 1 1.573 0.020 . 2 . . . . 33 Leu HB3 . 19968 1 351 . 1 1 33 33 LEU HG H 1 1.689 0.020 . 1 . . . . 33 Leu HG . 19968 1 352 . 1 1 33 33 LEU HD11 H 1 0.711 0.020 . 2 . . . . 33 Leu HD11 . 19968 1 353 . 1 1 33 33 LEU HD12 H 1 0.711 0.020 . 2 . . . . 33 Leu HD12 . 19968 1 354 . 1 1 33 33 LEU HD13 H 1 0.711 0.020 . 2 . . . . 33 Leu HD13 . 19968 1 355 . 1 1 33 33 LEU HD21 H 1 0.699 0.020 . 2 . . . . 33 Leu HD21 . 19968 1 356 . 1 1 33 33 LEU HD22 H 1 0.699 0.020 . 2 . . . . 33 Leu HD22 . 19968 1 357 . 1 1 33 33 LEU HD23 H 1 0.699 0.020 . 2 . . . . 33 Leu HD23 . 19968 1 358 . 1 1 33 33 LEU C C 13 176.568 0.200 . 1 . . . . 33 Leu C . 19968 1 359 . 1 1 33 33 LEU CA C 13 56.411 0.200 . 1 . . . . 33 Leu CA . 19968 1 360 . 1 1 33 33 LEU CB C 13 43.226 0.200 . 1 . . . . 33 Leu CB . 19968 1 361 . 1 1 33 33 LEU CG C 13 26.824 0.200 . 1 . . . . 33 Leu CG . 19968 1 362 . 1 1 33 33 LEU CD1 C 13 25.150 0.200 . 2 . . . . 33 Leu CD1 . 19968 1 363 . 1 1 33 33 LEU CD2 C 13 24.112 0.200 . 2 . . . . 33 Leu CD2 . 19968 1 364 . 1 1 33 33 LEU N N 15 119.211 0.200 . 1 . . . . 33 Leu N . 19968 1 365 . 1 1 34 34 ASP H H 1 8.021 0.020 . 1 . . . . 34 Asp H . 19968 1 366 . 1 1 34 34 ASP HA H 1 4.792 0.020 . 1 . . . . 34 Asp HA . 19968 1 367 . 1 1 34 34 ASP HB2 H 1 2.661 0.020 . 2 . . . . 34 Asp HB2 . 19968 1 368 . 1 1 34 34 ASP HB3 H 1 2.774 0.020 . 2 . . . . 34 Asp HB3 . 19968 1 369 . 1 1 34 34 ASP C C 13 173.617 0.200 . 1 . . . . 34 Asp C . 19968 1 370 . 1 1 34 34 ASP CA C 13 52.211 0.200 . 1 . . . . 34 Asp CA . 19968 1 371 . 1 1 34 34 ASP CB C 13 42.459 0.200 . 1 . . . . 34 Asp CB . 19968 1 372 . 1 1 34 34 ASP N N 15 115.939 0.200 . 1 . . . . 34 Asp N . 19968 1 373 . 1 1 35 35 PRO HA H 1 4.431 0.020 . 1 . . . . 35 Pro HA . 19968 1 374 . 1 1 35 35 PRO HB2 H 1 1.989 0.020 . 2 . . . . 35 Pro HB2 . 19968 1 375 . 1 1 35 35 PRO HB3 H 1 2.374 0.020 . 2 . . . . 35 Pro HB3 . 19968 1 376 . 1 1 35 35 PRO HG2 H 1 2.013 0.020 . 2 . . . . 35 Pro HG2 . 19968 1 377 . 1 1 35 35 PRO HG3 H 1 2.098 0.020 . 2 . . . . 35 Pro HG3 . 19968 1 378 . 1 1 35 35 PRO HD2 H 1 3.749 0.020 . 2 . . . . 35 Pro HD2 . 19968 1 379 . 1 1 35 35 PRO HD3 H 1 3.924 0.020 . 2 . . . . 35 Pro HD3 . 19968 1 380 . 1 1 35 35 PRO C C 13 176.008 0.200 . 1 . . . . 35 Pro C . 19968 1 381 . 1 1 35 35 PRO CA C 13 64.490 0.200 . 1 . . . . 35 Pro CA . 19968 1 382 . 1 1 35 35 PRO CB C 13 32.216 0.200 . 1 . . . . 35 Pro CB . 19968 1 383 . 1 1 35 35 PRO CG C 13 27.174 0.200 . 1 . . . . 35 Pro CG . 19968 1 384 . 1 1 35 35 PRO CD C 13 51.024 0.200 . 1 . . . . 35 Pro CD . 19968 1 385 . 1 1 36 36 ASP H H 1 8.313 0.020 . 1 . . . . 36 Asp H . 19968 1 386 . 1 1 36 36 ASP HA H 1 4.728 0.020 . 1 . . . . 36 Asp HA . 19968 1 387 . 1 1 36 36 ASP HB2 H 1 2.561 0.020 . 2 . . . . 36 Asp HB2 . 19968 1 388 . 1 1 36 36 ASP HB3 H 1 2.773 0.020 . 2 . . . . 36 Asp HB3 . 19968 1 389 . 1 1 36 36 ASP C C 13 175.462 0.200 . 1 . . . . 36 Asp C . 19968 1 390 . 1 1 36 36 ASP CA C 13 54.297 0.200 . 1 . . . . 36 Asp CA . 19968 1 391 . 1 1 36 36 ASP CB C 13 41.350 0.200 . 1 . . . . 36 Asp CB . 19968 1 392 . 1 1 36 36 ASP N N 15 115.453 0.200 . 1 . . . . 36 Asp N . 19968 1 393 . 1 1 37 37 MET H H 1 7.705 0.020 . 1 . . . . 37 Met H . 19968 1 394 . 1 1 37 37 MET HA H 1 4.158 0.020 . 1 . . . . 37 Met HA . 19968 1 395 . 1 1 37 37 MET HB2 H 1 2.021 0.020 . 2 . . . . 37 Met HB2 . 19968 1 396 . 1 1 37 37 MET HB3 H 1 2.054 0.020 . 2 . . . . 37 Met HB3 . 19968 1 397 . 1 1 37 37 MET HG2 H 1 2.515 0.020 . 2 . . . . 37 Met HG2 . 19968 1 398 . 1 1 37 37 MET HG3 H 1 2.481 0.020 . 2 . . . . 37 Met HG3 . 19968 1 399 . 1 1 37 37 MET C C 13 174.878 0.200 . 1 . . . . 37 Met C . 19968 1 400 . 1 1 37 37 MET CA C 13 57.070 0.200 . 1 . . . . 37 Met CA . 19968 1 401 . 1 1 37 37 MET CB C 13 33.283 0.200 . 1 . . . . 37 Met CB . 19968 1 402 . 1 1 37 37 MET CG C 13 32.125 0.200 . 1 . . . . 37 Met CG . 19968 1 403 . 1 1 37 37 MET N N 15 121.229 0.200 . 1 . . . . 37 Met N . 19968 1 404 . 1 1 38 38 GLU H H 1 8.581 0.020 . 1 . . . . 38 Glu H . 19968 1 405 . 1 1 38 38 GLU HA H 1 4.258 0.020 . 1 . . . . 38 Glu HA . 19968 1 406 . 1 1 38 38 GLU HB2 H 1 1.920 0.020 . 2 . . . . 38 Glu HB2 . 19968 1 407 . 1 1 38 38 GLU HB3 H 1 2.011 0.020 . 2 . . . . 38 Glu HB3 . 19968 1 408 . 1 1 38 38 GLU HG2 H 1 2.164 0.020 . 2 . . . . 38 Glu HG2 . 19968 1 409 . 1 1 38 38 GLU HG3 H 1 2.250 0.020 . 2 . . . . 38 Glu HG3 . 19968 1 410 . 1 1 38 38 GLU C C 13 175.032 0.200 . 1 . . . . 38 Glu C . 19968 1 411 . 1 1 38 38 GLU CA C 13 57.040 0.200 . 1 . . . . 38 Glu CA . 19968 1 412 . 1 1 38 38 GLU CB C 13 31.637 0.200 . 1 . . . . 38 Glu CB . 19968 1 413 . 1 1 38 38 GLU CG C 13 36.493 0.200 . 1 . . . . 38 Glu CG . 19968 1 414 . 1 1 38 38 GLU N N 15 123.434 0.200 . 1 . . . . 38 Glu N . 19968 1 415 . 1 1 39 39 LYS H H 1 7.667 0.020 . 1 . . . . 39 Lys H . 19968 1 416 . 1 1 39 39 LYS HA H 1 4.365 0.020 . 1 . . . . 39 Lys HA . 19968 1 417 . 1 1 39 39 LYS HB2 H 1 1.604 0.020 . 2 . . . . 39 Lys HB2 . 19968 1 418 . 1 1 39 39 LYS HB3 H 1 1.742 0.020 . 2 . . . . 39 Lys HB3 . 19968 1 419 . 1 1 39 39 LYS HG2 H 1 1.313 0.020 . 2 . . . . 39 Lys HG2 . 19968 1 420 . 1 1 39 39 LYS HG3 H 1 1.292 0.020 . 2 . . . . 39 Lys HG3 . 19968 1 421 . 1 1 39 39 LYS HD3 H 1 1.569 0.020 . 1 . . . . 39 Lys HD3 . 19968 1 422 . 1 1 39 39 LYS HE3 H 1 2.888 0.020 . 1 . . . . 39 Lys HE3 . 19968 1 423 . 1 1 39 39 LYS C C 13 173.632 0.200 . 1 . . . . 39 Lys C . 19968 1 424 . 1 1 39 39 LYS CA C 13 54.860 0.200 . 1 . . . . 39 Lys CA . 19968 1 425 . 1 1 39 39 LYS CB C 13 34.698 0.200 . 1 . . . . 39 Lys CB . 19968 1 426 . 1 1 39 39 LYS CG C 13 24.144 0.200 . 1 . . . . 39 Lys CG . 19968 1 427 . 1 1 39 39 LYS CD C 13 29.147 0.200 . 1 . . . . 39 Lys CD . 19968 1 428 . 1 1 39 39 LYS CE C 13 42.194 0.200 . 1 . . . . 39 Lys CE . 19968 1 429 . 1 1 39 39 LYS N N 15 118.104 0.200 . 1 . . . . 39 Lys N . 19968 1 430 . 1 1 40 40 ALA H H 1 8.425 0.020 . 1 . . . . 40 Ala H . 19968 1 431 . 1 1 40 40 ALA HA H 1 4.279 0.020 . 1 . . . . 40 Ala HA . 19968 1 432 . 1 1 40 40 ALA HB1 H 1 1.269 0.020 . 1 . . . . 40 Ala HB1 . 19968 1 433 . 1 1 40 40 ALA HB2 H 1 1.269 0.020 . 1 . . . . 40 Ala HB2 . 19968 1 434 . 1 1 40 40 ALA HB3 H 1 1.269 0.020 . 1 . . . . 40 Ala HB3 . 19968 1 435 . 1 1 40 40 ALA C C 13 174.641 0.200 . 1 . . . . 40 Ala C . 19968 1 436 . 1 1 40 40 ALA CA C 13 50.789 0.200 . 1 . . . . 40 Ala CA . 19968 1 437 . 1 1 40 40 ALA CB C 13 17.269 0.200 . 1 . . . . 40 Ala CB . 19968 1 438 . 1 1 40 40 ALA N N 15 125.538 0.200 . 1 . . . . 40 Ala N . 19968 1 439 . 1 1 41 41 PRO HA H 1 4.224 0.020 . 1 . . . . 41 Pro HA . 19968 1 440 . 1 1 41 41 PRO HB2 H 1 1.664 0.020 . 2 . . . . 41 Pro HB2 . 19968 1 441 . 1 1 41 41 PRO HB3 H 1 2.153 0.020 . 2 . . . . 41 Pro HB3 . 19968 1 442 . 1 1 41 41 PRO HG2 H 1 1.209 0.020 . 2 . . . . 41 Pro HG2 . 19968 1 443 . 1 1 41 41 PRO HG3 H 1 1.350 0.020 . 2 . . . . 41 Pro HG3 . 19968 1 444 . 1 1 41 41 PRO HD2 H 1 3.429 0.020 . 2 . . . . 41 Pro HD2 . 19968 1 445 . 1 1 41 41 PRO HD3 H 1 3.225 0.020 . 2 . . . . 41 Pro HD3 . 19968 1 446 . 1 1 41 41 PRO CA C 13 63.355 0.200 . 1 . . . . 41 Pro CA . 19968 1 447 . 1 1 41 41 PRO CB C 13 32.278 0.200 . 1 . . . . 41 Pro CB . 19968 1 448 . 1 1 41 41 PRO CG C 13 26.978 0.200 . 1 . . . . 41 Pro CG . 19968 1 449 . 1 1 41 41 PRO CD C 13 50.200 0.200 . 1 . . . . 41 Pro CD . 19968 1 450 . 1 1 42 42 GLU H H 1 8.368 0.020 . 1 . . . . 42 Glu H . 19968 1 451 . 1 1 42 42 GLU HA H 1 4.368 0.020 . 1 . . . . 42 Glu HA . 19968 1 452 . 1 1 42 42 GLU HB2 H 1 1.915 0.020 . 2 . . . . 42 Glu HB2 . 19968 1 453 . 1 1 42 42 GLU HB3 H 1 2.038 0.020 . 2 . . . . 42 Glu HB3 . 19968 1 454 . 1 1 42 42 GLU HG3 H 1 2.251 0.020 . 1 . . . . 42 Glu HG3 . 19968 1 455 . 1 1 42 42 GLU CA C 13 56.334 0.200 . 1 . . . . 42 Glu CA . 19968 1 456 . 1 1 42 42 GLU CB C 13 30.925 0.200 . 1 . . . . 42 Glu CB . 19968 1 457 . 1 1 42 42 GLU CG C 13 36.447 0.200 . 1 . . . . 42 Glu CG . 19968 1 458 . 1 1 42 42 GLU N N 15 120.411 0.200 . 1 . . . . 42 Glu N . 19968 1 459 . 1 1 43 43 GLY H H 1 8.297 0.020 . 1 . . . . 43 Gly H . 19968 1 460 . 1 1 43 43 GLY HA2 H 1 3.910 0.020 . 2 . . . . 43 Gly HA2 . 19968 1 461 . 1 1 43 43 GLY HA3 H 1 4.026 0.020 . 2 . . . . 43 Gly HA3 . 19968 1 462 . 1 1 43 43 GLY C C 13 172.671 0.200 . 1 . . . . 43 Gly C . 19968 1 463 . 1 1 43 43 GLY CA C 13 44.786 0.200 . 1 . . . . 43 Gly CA . 19968 1 464 . 1 1 43 43 GLY N N 15 109.655 0.200 . 1 . . . . 43 Gly N . 19968 1 465 . 1 1 44 44 LYS H H 1 8.158 0.020 . 1 . . . . 44 Lys H . 19968 1 466 . 1 1 44 44 LYS HA H 1 4.440 0.020 . 1 . . . . 44 Lys HA . 19968 1 467 . 1 1 44 44 LYS HB2 H 1 1.660 0.020 . 2 . . . . 44 Lys HB2 . 19968 1 468 . 1 1 44 44 LYS HB3 H 1 1.562 0.020 . 2 . . . . 44 Lys HB3 . 19968 1 469 . 1 1 44 44 LYS HG2 H 1 1.289 0.020 . 2 . . . . 44 Lys HG2 . 19968 1 470 . 1 1 44 44 LYS HG3 H 1 1.306 0.020 . 2 . . . . 44 Lys HG3 . 19968 1 471 . 1 1 44 44 LYS HD3 H 1 1.459 0.020 . 1 . . . . 44 Lys HD3 . 19968 1 472 . 1 1 44 44 LYS HE3 H 1 2.851 0.020 . 1 . . . . 44 Lys HE3 . 19968 1 473 . 1 1 44 44 LYS C C 13 175.823 0.200 . 1 . . . . 44 Lys C . 19968 1 474 . 1 1 44 44 LYS CA C 13 56.272 0.200 . 1 . . . . 44 Lys CA . 19968 1 475 . 1 1 44 44 LYS CB C 13 32.677 0.200 . 1 . . . . 44 Lys CB . 19968 1 476 . 1 1 44 44 LYS CG C 13 24.728 0.200 . 1 . . . . 44 Lys CG . 19968 1 477 . 1 1 44 44 LYS N N 15 120.471 0.200 . 1 . . . . 44 Lys N . 19968 1 478 . 1 1 45 45 TRP H H 1 9.974 0.020 . 1 . . . . 45 Trp H . 19968 1 479 . 1 1 45 45 TRP HA H 1 4.677 0.020 . 1 . . . . 45 Trp HA . 19968 1 480 . 1 1 45 45 TRP HB2 H 1 2.949 0.020 . 2 . . . . 45 Trp HB2 . 19968 1 481 . 1 1 45 45 TRP HB3 H 1 3.313 0.020 . 2 . . . . 45 Trp HB3 . 19968 1 482 . 1 1 45 45 TRP HD1 H 1 7.291 0.020 . 1 . . . . 45 Trp HD1 . 19968 1 483 . 1 1 45 45 TRP HE1 H 1 9.825 0.020 . 1 . . . . 45 Trp HE1 . 19968 1 484 . 1 1 45 45 TRP HE3 H 1 7.569 0.020 . 1 . . . . 45 Trp HE3 . 19968 1 485 . 1 1 45 45 TRP HZ2 H 1 7.086 0.020 . 1 . . . . 45 Trp HZ2 . 19968 1 486 . 1 1 45 45 TRP HZ3 H 1 6.623 0.020 . 1 . . . . 45 Trp HZ3 . 19968 1 487 . 1 1 45 45 TRP HH2 H 1 6.469 0.020 . 1 . . . . 45 Trp HH2 . 19968 1 488 . 1 1 45 45 TRP C C 13 172.661 0.200 . 1 . . . . 45 Trp C . 19968 1 489 . 1 1 45 45 TRP CA C 13 59.095 0.200 . 1 . . . . 45 Trp CA . 19968 1 490 . 1 1 45 45 TRP CB C 13 31.002 0.200 . 1 . . . . 45 Trp CB . 19968 1 491 . 1 1 45 45 TRP N N 15 127.780 0.200 . 1 . . . . 45 Trp N . 19968 1 492 . 1 1 45 45 TRP NE1 N 15 128.289 0.200 . 1 . . . . 45 Trp NE1 . 19968 1 493 . 1 1 46 46 SER H H 1 7.260 0.020 . 1 . . . . 46 Ser H . 19968 1 494 . 1 1 46 46 SER HA H 1 5.103 0.020 . 1 . . . . 46 Ser HA . 19968 1 495 . 1 1 46 46 SER HB2 H 1 3.203 0.020 . 2 . . . . 46 Ser HB2 . 19968 1 496 . 1 1 46 46 SER HB3 H 1 3.394 0.020 . 2 . . . . 46 Ser HB3 . 19968 1 497 . 1 1 46 46 SER C C 13 171.762 0.200 . 1 . . . . 46 Ser C . 19968 1 498 . 1 1 46 46 SER CA C 13 57.009 0.200 . 1 . . . . 46 Ser CA . 19968 1 499 . 1 1 46 46 SER CB C 13 65.214 0.200 . 1 . . . . 46 Ser CB . 19968 1 500 . 1 1 46 46 SER N N 15 121.250 0.200 . 1 . . . . 46 Ser N . 19968 1 501 . 1 1 47 47 CYS H H 1 9.104 0.020 . 1 . . . . 47 Cys H . 19968 1 502 . 1 1 47 47 CYS HA H 1 3.445 0.020 . 1 . . . . 47 Cys HA . 19968 1 503 . 1 1 47 47 CYS HB2 H 1 2.311 0.020 . 2 . . . . 47 Cys HB2 . 19968 1 504 . 1 1 47 47 CYS HB3 H 1 3.089 0.020 . 2 . . . . 47 Cys HB3 . 19968 1 505 . 1 1 47 47 CYS C C 13 172.374 0.200 . 1 . . . . 47 Cys C . 19968 1 506 . 1 1 47 47 CYS CA C 13 57.001 0.200 . 1 . . . . 47 Cys CA . 19968 1 507 . 1 1 47 47 CYS CB C 13 31.196 0.200 . 1 . . . . 47 Cys CB . 19968 1 508 . 1 1 47 47 CYS N N 15 127.578 0.200 . 1 . . . . 47 Cys N . 19968 1 509 . 1 1 48 48 PRO HA H 1 4.186 0.020 . 1 . . . . 48 Pro HA . 19968 1 510 . 1 1 48 48 PRO HB2 H 1 2.374 0.020 . 2 . . . . 48 Pro HB2 . 19968 1 511 . 1 1 48 48 PRO HB3 H 1 1.793 0.020 . 2 . . . . 48 Pro HB3 . 19968 1 512 . 1 1 48 48 PRO HG2 H 1 1.813 0.020 . 2 . . . . 48 Pro HG2 . 19968 1 513 . 1 1 48 48 PRO HG3 H 1 1.923 0.020 . 2 . . . . 48 Pro HG3 . 19968 1 514 . 1 1 48 48 PRO C C 13 178.486 0.200 . 1 . . . . 48 Pro C . 19968 1 515 . 1 1 48 48 PRO CA C 13 65.394 0.200 . 1 . . . . 48 Pro CA . 19968 1 516 . 1 1 48 48 PRO CB C 13 32.309 0.200 . 1 . . . . 48 Pro CB . 19968 1 517 . 1 1 48 48 PRO CG C 13 28.102 0.200 . 1 . . . . 48 Pro CG . 19968 1 518 . 1 1 49 49 HIS H H 1 8.174 0.020 . 1 . . . . 49 His H . 19968 1 519 . 1 1 49 49 HIS HA H 1 4.138 0.020 . 1 . . . . 49 His HA . 19968 1 520 . 1 1 49 49 HIS HB2 H 1 3.150 0.020 . 2 . . . . 49 His HB2 . 19968 1 521 . 1 1 49 49 HIS HB3 H 1 3.127 0.020 . 2 . . . . 49 His HB3 . 19968 1 522 . 1 1 49 49 HIS C C 13 176.685 0.200 . 1 . . . . 49 His C . 19968 1 523 . 1 1 49 49 HIS CA C 13 60.883 0.200 . 1 . . . . 49 His CA . 19968 1 524 . 1 1 49 49 HIS CB C 13 30.673 0.200 . 1 . . . . 49 His CB . 19968 1 525 . 1 1 49 49 HIS N N 15 118.535 0.200 . 1 . . . . 49 His N . 19968 1 526 . 1 1 50 50 CYS H H 1 8.291 0.020 . 1 . . . . 50 Cys H . 19968 1 527 . 1 1 50 50 CYS HA H 1 3.772 0.020 . 1 . . . . 50 Cys HA . 19968 1 528 . 1 1 50 50 CYS HB2 H 1 2.553 0.020 . 2 . . . . 50 Cys HB2 . 19968 1 529 . 1 1 50 50 CYS HB3 H 1 3.015 0.020 . 2 . . . . 50 Cys HB3 . 19968 1 530 . 1 1 50 50 CYS C C 13 178.026 0.200 . 1 . . . . 50 Cys C . 19968 1 531 . 1 1 50 50 CYS CA C 13 64.800 0.200 . 1 . . . . 50 Cys CA . 19968 1 532 . 1 1 50 50 CYS CB C 13 28.279 0.200 . 1 . . . . 50 Cys CB . 19968 1 533 . 1 1 50 50 CYS N N 15 123.017 0.200 . 1 . . . . 50 Cys N . 19968 1 534 . 1 1 51 51 GLU H H 1 8.263 0.020 . 1 . . . . 51 Glu H . 19968 1 535 . 1 1 51 51 GLU HA H 1 3.856 0.020 . 1 . . . . 51 Glu HA . 19968 1 536 . 1 1 51 51 GLU HB2 H 1 1.856 0.020 . 2 . . . . 51 Glu HB2 . 19968 1 537 . 1 1 51 51 GLU HB3 H 1 1.874 0.020 . 2 . . . . 51 Glu HB3 . 19968 1 538 . 1 1 51 51 GLU HG2 H 1 2.117 0.020 . 2 . . . . 51 Glu HG2 . 19968 1 539 . 1 1 51 51 GLU HG3 H 1 1.894 0.020 . 2 . . . . 51 Glu HG3 . 19968 1 540 . 1 1 51 51 GLU C C 13 177.531 0.200 . 1 . . . . 51 Glu C . 19968 1 541 . 1 1 51 51 GLU CA C 13 59.217 0.200 . 1 . . . . 51 Glu CA . 19968 1 542 . 1 1 51 51 GLU CB C 13 30.116 0.200 . 1 . . . . 51 Glu CB . 19968 1 543 . 1 1 51 51 GLU CG C 13 36.629 0.200 . 1 . . . . 51 Glu CG . 19968 1 544 . 1 1 51 51 GLU N N 15 117.125 0.200 . 1 . . . . 51 Glu N . 19968 1 545 . 1 1 52 52 LYS H H 1 7.507 0.020 . 1 . . . . 52 Lys H . 19968 1 546 . 1 1 52 52 LYS HA H 1 4.097 0.020 . 1 . . . . 52 Lys HA . 19968 1 547 . 1 1 52 52 LYS HB2 H 1 1.793 0.020 . 2 . . . . 52 Lys HB2 . 19968 1 548 . 1 1 52 52 LYS HB3 H 1 1.817 0.020 . 2 . . . . 52 Lys HB3 . 19968 1 549 . 1 1 52 52 LYS HG2 H 1 1.372 0.020 . 2 . . . . 52 Lys HG2 . 19968 1 550 . 1 1 52 52 LYS HG3 H 1 1.457 0.020 . 2 . . . . 52 Lys HG3 . 19968 1 551 . 1 1 52 52 LYS HD3 H 1 1.577 0.020 . 1 . . . . 52 Lys HD3 . 19968 1 552 . 1 1 52 52 LYS HE2 H 1 2.997 0.020 . 2 . . . . 52 Lys HE2 . 19968 1 553 . 1 1 52 52 LYS HE3 H 1 2.941 0.020 . 2 . . . . 52 Lys HE3 . 19968 1 554 . 1 1 52 52 LYS C C 13 177.206 0.200 . 1 . . . . 52 Lys C . 19968 1 555 . 1 1 52 52 LYS CA C 13 58.369 0.200 . 1 . . . . 52 Lys CA . 19968 1 556 . 1 1 52 52 LYS CB C 13 33.218 0.200 . 1 . . . . 52 Lys CB . 19968 1 557 . 1 1 52 52 LYS CG C 13 24.984 0.200 . 1 . . . . 52 Lys CG . 19968 1 558 . 1 1 52 52 LYS CD C 13 29.221 0.200 . 1 . . . . 52 Lys CD . 19968 1 559 . 1 1 52 52 LYS CE C 13 42.336 0.200 . 1 . . . . 52 Lys CE . 19968 1 560 . 1 1 52 52 LYS N N 15 117.379 0.200 . 1 . . . . 52 Lys N . 19968 1 561 . 1 1 53 53 GLU H H 1 8.099 0.020 . 1 . . . . 53 Glu H . 19968 1 562 . 1 1 53 53 GLU HA H 1 4.242 0.020 . 1 . . . . 53 Glu HA . 19968 1 563 . 1 1 53 53 GLU HB2 H 1 2.059 0.020 . 2 . . . . 53 Glu HB2 . 19968 1 564 . 1 1 53 53 GLU HB3 H 1 1.597 0.020 . 2 . . . . 53 Glu HB3 . 19968 1 565 . 1 1 53 53 GLU HG2 H 1 2.177 0.020 . 2 . . . . 53 Glu HG2 . 19968 1 566 . 1 1 53 53 GLU HG3 H 1 1.948 0.020 . 2 . . . . 53 Glu HG3 . 19968 1 567 . 1 1 53 53 GLU C C 13 176.416 0.200 . 1 . . . . 53 Glu C . 19968 1 568 . 1 1 53 53 GLU CA C 13 56.525 0.200 . 1 . . . . 53 Glu CA . 19968 1 569 . 1 1 53 53 GLU CB C 13 30.370 0.200 . 1 . . . . 53 Glu CB . 19968 1 570 . 1 1 53 53 GLU CG C 13 35.902 0.200 . 1 . . . . 53 Glu CG . 19968 1 571 . 1 1 53 53 GLU N N 15 115.747 0.200 . 1 . . . . 53 Glu N . 19968 1 572 . 1 1 54 54 GLY H H 1 7.616 0.020 . 1 . . . . 54 Gly H . 19968 1 573 . 1 1 54 54 GLY HA2 H 1 3.773 0.020 . 2 . . . . 54 Gly HA2 . 19968 1 574 . 1 1 54 54 GLY HA3 H 1 4.186 0.020 . 2 . . . . 54 Gly HA3 . 19968 1 575 . 1 1 54 54 GLY C C 13 173.522 0.200 . 1 . . . . 54 Gly C . 19968 1 576 . 1 1 54 54 GLY CA C 13 44.921 0.200 . 1 . . . . 54 Gly CA . 19968 1 577 . 1 1 54 54 GLY N N 15 107.955 0.200 . 1 . . . . 54 Gly N . 19968 1 578 . 1 1 55 55 ILE H H 1 7.782 0.020 . 1 . . . . 55 Ile H . 19968 1 579 . 1 1 55 55 ILE HA H 1 4.257 0.020 . 1 . . . . 55 Ile HA . 19968 1 580 . 1 1 55 55 ILE HB H 1 1.875 0.020 . 1 . . . . 55 Ile HB . 19968 1 581 . 1 1 55 55 ILE HG12 H 1 1.129 0.020 . 2 . . . . 55 Ile HG12 . 19968 1 582 . 1 1 55 55 ILE HG13 H 1 1.302 0.020 . 2 . . . . 55 Ile HG13 . 19968 1 583 . 1 1 55 55 ILE HG21 H 1 0.851 0.020 . 1 . . . . 55 Ile HG21 . 19968 1 584 . 1 1 55 55 ILE HG22 H 1 0.851 0.020 . 1 . . . . 55 Ile HG22 . 19968 1 585 . 1 1 55 55 ILE HG23 H 1 0.851 0.020 . 1 . . . . 55 Ile HG23 . 19968 1 586 . 1 1 55 55 ILE HD11 H 1 0.814 0.020 . 1 . . . . 55 Ile HD11 . 19968 1 587 . 1 1 55 55 ILE HD12 H 1 0.814 0.020 . 1 . . . . 55 Ile HD12 . 19968 1 588 . 1 1 55 55 ILE HD13 H 1 0.814 0.020 . 1 . . . . 55 Ile HD13 . 19968 1 589 . 1 1 55 55 ILE C C 13 175.001 0.200 . 1 . . . . 55 Ile C . 19968 1 590 . 1 1 55 55 ILE CA C 13 61.727 0.200 . 1 . . . . 55 Ile CA . 19968 1 591 . 1 1 55 55 ILE CB C 13 38.890 0.200 . 1 . . . . 55 Ile CB . 19968 1 592 . 1 1 55 55 ILE CG1 C 13 26.410 0.200 . 1 . . . . 55 Ile CG1 . 19968 1 593 . 1 1 55 55 ILE CG2 C 13 17.768 0.200 . 1 . . . . 55 Ile CG2 . 19968 1 594 . 1 1 55 55 ILE CD1 C 13 13.410 0.200 . 1 . . . . 55 Ile CD1 . 19968 1 595 . 1 1 55 55 ILE N N 15 117.482 0.200 . 1 . . . . 55 Ile N . 19968 1 596 . 1 1 56 56 GLN H H 1 7.999 0.020 . 1 . . . . 56 Gln H . 19968 1 597 . 1 1 56 56 GLN HA H 1 4.392 0.020 . 1 . . . . 56 Gln HA . 19968 1 598 . 1 1 56 56 GLN HB2 H 1 2.276 0.020 . 2 . . . . 56 Gln HB2 . 19968 1 599 . 1 1 56 56 GLN HB3 H 1 1.845 0.020 . 2 . . . . 56 Gln HB3 . 19968 1 600 . 1 1 56 56 GLN HG3 H 1 2.292 0.020 . 1 . . . . 56 Gln HG3 . 19968 1 601 . 1 1 56 56 GLN HE21 H 1 7.519 0.020 . 1 . . . . 56 Gln HE21 . 19968 1 602 . 1 1 56 56 GLN HE22 H 1 6.832 0.020 . 1 . . . . 56 Gln HE22 . 19968 1 603 . 1 1 56 56 GLN C C 13 175.123 0.200 . 1 . . . . 56 Gln C . 19968 1 604 . 1 1 56 56 GLN CA C 13 56.193 0.200 . 1 . . . . 56 Gln CA . 19968 1 605 . 1 1 56 56 GLN CB C 13 29.961 0.200 . 1 . . . . 56 Gln CB . 19968 1 606 . 1 1 56 56 GLN CG C 13 34.158 0.200 . 1 . . . . 56 Gln CG . 19968 1 607 . 1 1 56 56 GLN CD C 13 179.293 0.200 . 1 . . . . 56 Gln CD . 19968 1 608 . 1 1 56 56 GLN N N 15 121.844 0.200 . 1 . . . . 56 Gln N . 19968 1 609 . 1 1 56 56 GLN NE2 N 15 110.955 0.200 . 1 . . . . 56 Gln NE2 . 19968 1 610 . 1 1 57 57 TRP H H 1 8.148 0.020 . 1 . . . . 57 Trp H . 19968 1 611 . 1 1 57 57 TRP HA H 1 4.642 0.020 . 1 . . . . 57 Trp HA . 19968 1 612 . 1 1 57 57 TRP HB2 H 1 3.126 0.020 . 2 . . . . 57 Trp HB2 . 19968 1 613 . 1 1 57 57 TRP HB3 H 1 3.274 0.020 . 2 . . . . 57 Trp HB3 . 19968 1 614 . 1 1 57 57 TRP HD1 H 1 7.131 0.020 . 1 . . . . 57 Trp HD1 . 19968 1 615 . 1 1 57 57 TRP HE1 H 1 9.944 0.020 . 1 . . . . 57 Trp HE1 . 19968 1 616 . 1 1 57 57 TRP HE3 H 1 7.466 0.020 . 1 . . . . 57 Trp HE3 . 19968 1 617 . 1 1 57 57 TRP HZ2 H 1 7.177 0.020 . 1 . . . . 57 Trp HZ2 . 19968 1 618 . 1 1 57 57 TRP HZ3 H 1 7.033 0.020 . 1 . . . . 57 Trp HZ3 . 19968 1 619 . 1 1 57 57 TRP HH2 H 1 6.839 0.020 . 1 . . . . 57 Trp HH2 . 19968 1 620 . 1 1 57 57 TRP C C 13 174.121 0.200 . 1 . . . . 57 Trp C . 19968 1 621 . 1 1 57 57 TRP CA C 13 56.666 0.200 . 1 . . . . 57 Trp CA . 19968 1 622 . 1 1 57 57 TRP CB C 13 29.533 0.200 . 1 . . . . 57 Trp CB . 19968 1 623 . 1 1 57 57 TRP N N 15 119.994 0.200 . 1 . . . . 57 Trp N . 19968 1 624 . 1 1 57 57 TRP NE1 N 15 128.663 0.200 . 1 . . . . 57 Trp NE1 . 19968 1 625 . 1 1 58 58 GLU H H 1 8.060 0.020 . 1 . . . . 58 Glu H . 19968 1 626 . 1 1 58 58 GLU HA H 1 4.178 0.020 . 1 . . . . 58 Glu HA . 19968 1 627 . 1 1 58 58 GLU HB2 H 1 1.793 0.020 . 2 . . . . 58 Glu HB2 . 19968 1 628 . 1 1 58 58 GLU HB3 H 1 1.926 0.020 . 2 . . . . 58 Glu HB3 . 19968 1 629 . 1 1 58 58 GLU HG2 H 1 2.147 0.020 . 2 . . . . 58 Glu HG2 . 19968 1 630 . 1 1 58 58 GLU HG3 H 1 2.160 0.020 . 2 . . . . 58 Glu HG3 . 19968 1 631 . 1 1 58 58 GLU C C 13 175.188 0.200 . 1 . . . . 58 Glu C . 19968 1 632 . 1 1 58 58 GLU CA C 13 56.173 0.200 . 1 . . . . 58 Glu CA . 19968 1 633 . 1 1 58 58 GLU CB C 13 30.903 0.200 . 1 . . . . 58 Glu CB . 19968 1 634 . 1 1 58 58 GLU CG C 13 36.290 0.200 . 1 . . . . 58 Glu CG . 19968 1 635 . 1 1 58 58 GLU N N 15 119.334 0.200 . 1 . . . . 58 Glu N . 19968 1 636 . 1 1 59 59 ALA H H 1 8.303 0.020 . 1 . . . . 59 Ala H . 19968 1 637 . 1 1 59 59 ALA HA H 1 4.298 0.020 . 1 . . . . 59 Ala HA . 19968 1 638 . 1 1 59 59 ALA HB1 H 1 1.353 0.020 . 1 . . . . 59 Ala HB1 . 19968 1 639 . 1 1 59 59 ALA HB2 H 1 1.353 0.020 . 1 . . . . 59 Ala HB2 . 19968 1 640 . 1 1 59 59 ALA HB3 H 1 1.353 0.020 . 1 . . . . 59 Ala HB3 . 19968 1 641 . 1 1 59 59 ALA C C 13 176.001 0.200 . 1 . . . . 59 Ala C . 19968 1 642 . 1 1 59 59 ALA CA C 13 52.253 0.200 . 1 . . . . 59 Ala CA . 19968 1 643 . 1 1 59 59 ALA CB C 13 19.170 0.200 . 1 . . . . 59 Ala CB . 19968 1 644 . 1 1 59 59 ALA N N 15 124.374 0.200 . 1 . . . . 59 Ala N . 19968 1 645 . 1 1 60 60 LYS H H 1 8.376 0.020 . 1 . . . . 60 Lys H . 19968 1 646 . 1 1 60 60 LYS HA H 1 4.240 0.020 . 1 . . . . 60 Lys HA . 19968 1 647 . 1 1 60 60 LYS HB2 H 1 1.733 0.020 . 2 . . . . 60 Lys HB2 . 19968 1 648 . 1 1 60 60 LYS HB3 H 1 1.789 0.020 . 2 . . . . 60 Lys HB3 . 19968 1 649 . 1 1 60 60 LYS HG2 H 1 1.402 0.020 . 2 . . . . 60 Lys HG2 . 19968 1 650 . 1 1 60 60 LYS HG3 H 1 1.409 0.020 . 2 . . . . 60 Lys HG3 . 19968 1 651 . 1 1 60 60 LYS N N 15 120.803 0.200 . 1 . . . . 60 Lys N . 19968 1 652 . 1 1 61 61 GLU H H 1 8.272 0.020 . 1 . . . . 61 Glu H . 19968 1 653 . 1 1 61 61 GLU HA H 1 4.289 0.020 . 1 . . . . 61 Glu HA . 19968 1 654 . 1 1 61 61 GLU HB2 H 1 2.076 0.020 . 2 . . . . 61 Glu HB2 . 19968 1 655 . 1 1 61 61 GLU HB3 H 1 1.912 0.020 . 2 . . . . 61 Glu HB3 . 19968 1 656 . 1 1 61 61 GLU HG2 H 1 2.237 0.020 . 2 . . . . 61 Glu HG2 . 19968 1 657 . 1 1 61 61 GLU HG3 H 1 2.241 0.020 . 2 . . . . 61 Glu HG3 . 19968 1 658 . 1 1 61 61 GLU C C 13 175.290 0.200 . 1 . . . . 61 Glu C . 19968 1 659 . 1 1 61 61 GLU CA C 13 56.489 0.200 . 1 . . . . 61 Glu CA . 19968 1 660 . 1 1 61 61 GLU CB C 13 30.590 0.200 . 1 . . . . 61 Glu CB . 19968 1 661 . 1 1 61 61 GLU CG C 13 36.367 0.200 . 1 . . . . 61 Glu CG . 19968 1 662 . 1 1 61 61 GLU N N 15 120.714 0.200 . 1 . . . . 61 Glu N . 19968 1 663 . 1 1 62 62 ASP H H 1 8.436 0.020 . 1 . . . . 62 Asp H . 19968 1 664 . 1 1 62 62 ASP HA H 1 4.613 0.020 . 1 . . . . 62 Asp HA . 19968 1 665 . 1 1 62 62 ASP HB2 H 1 2.602 0.020 . 2 . . . . 62 Asp HB2 . 19968 1 666 . 1 1 62 62 ASP HB3 H 1 2.710 0.020 . 2 . . . . 62 Asp HB3 . 19968 1 667 . 1 1 62 62 ASP C C 13 175.183 0.200 . 1 . . . . 62 Asp C . 19968 1 668 . 1 1 62 62 ASP CA C 13 54.369 0.200 . 1 . . . . 62 Asp CA . 19968 1 669 . 1 1 62 62 ASP CB C 13 41.443 0.200 . 1 . . . . 62 Asp CB . 19968 1 670 . 1 1 62 62 ASP N N 15 120.832 0.200 . 1 . . . . 62 Asp N . 19968 1 671 . 1 1 63 63 ASN H H 1 8.469 0.020 . 1 . . . . 63 Asn H . 19968 1 672 . 1 1 63 63 ASN HA H 1 4.622 0.020 . 1 . . . . 63 Asn HA . 19968 1 673 . 1 1 63 63 ASN HB2 H 1 2.792 0.020 . 2 . . . . 63 Asn HB2 . 19968 1 674 . 1 1 63 63 ASN HB3 H 1 2.849 0.020 . 2 . . . . 63 Asn HB3 . 19968 1 675 . 1 1 63 63 ASN HD21 H 1 7.585 0.020 . 1 . . . . 63 Asn HD21 . 19968 1 676 . 1 1 63 63 ASN HD22 H 1 6.909 0.020 . 1 . . . . 63 Asn HD22 . 19968 1 677 . 1 1 63 63 ASN C C 13 174.714 0.200 . 1 . . . . 63 Asn C . 19968 1 678 . 1 1 63 63 ASN CA C 13 53.434 0.200 . 1 . . . . 63 Asn CA . 19968 1 679 . 1 1 63 63 ASN CB C 13 39.124 0.200 . 1 . . . . 63 Asn CB . 19968 1 680 . 1 1 63 63 ASN N N 15 119.125 0.200 . 1 . . . . 63 Asn N . 19968 1 681 . 1 1 63 63 ASN ND2 N 15 111.900 0.200 . 1 . . . . 63 Asn ND2 . 19968 1 682 . 1 1 64 64 SER H H 1 8.403 0.020 . 1 . . . . 64 Ser H . 19968 1 683 . 1 1 64 64 SER HA H 1 4.419 0.020 . 1 . . . . 64 Ser HA . 19968 1 684 . 1 1 64 64 SER HB2 H 1 3.912 0.020 . 2 . . . . 64 Ser HB2 . 19968 1 685 . 1 1 64 64 SER HB3 H 1 3.878 0.020 . 2 . . . . 64 Ser HB3 . 19968 1 686 . 1 1 64 64 SER C C 13 174.025 0.200 . 1 . . . . 64 Ser C . 19968 1 687 . 1 1 64 64 SER CA C 13 58.971 0.200 . 1 . . . . 64 Ser CA . 19968 1 688 . 1 1 64 64 SER CB C 13 63.856 0.200 . 1 . . . . 64 Ser CB . 19968 1 689 . 1 1 64 64 SER N N 15 115.674 0.200 . 1 . . . . 64 Ser N . 19968 1 690 . 1 1 65 65 GLU H H 1 8.462 0.020 . 1 . . . . 65 Glu H . 19968 1 691 . 1 1 65 65 GLU HA H 1 4.315 0.020 . 1 . . . . 65 Glu HA . 19968 1 692 . 1 1 65 65 GLU HB2 H 1 1.952 0.020 . 2 . . . . 65 Glu HB2 . 19968 1 693 . 1 1 65 65 GLU HB3 H 1 2.092 0.020 . 2 . . . . 65 Glu HB3 . 19968 1 694 . 1 1 65 65 GLU HG3 H 1 2.264 0.020 . 1 . . . . 65 Glu HG3 . 19968 1 695 . 1 1 65 65 GLU C C 13 176.203 0.200 . 1 . . . . 65 Glu C . 19968 1 696 . 1 1 65 65 GLU CA C 13 56.941 0.200 . 1 . . . . 65 Glu CA . 19968 1 697 . 1 1 65 65 GLU CB C 13 30.415 0.200 . 1 . . . . 65 Glu CB . 19968 1 698 . 1 1 65 65 GLU CG C 13 36.420 0.200 . 1 . . . . 65 Glu CG . 19968 1 699 . 1 1 65 65 GLU N N 15 121.557 0.200 . 1 . . . . 65 Glu N . 19968 1 700 . 1 1 66 66 GLY H H 1 8.345 0.020 . 1 . . . . 66 Gly H . 19968 1 701 . 1 1 66 66 GLY HA2 H 1 3.965 0.020 . 2 . . . . 66 Gly HA2 . 19968 1 702 . 1 1 66 66 GLY HA3 H 1 3.960 0.020 . 2 . . . . 66 Gly HA3 . 19968 1 703 . 1 1 66 66 GLY C C 13 173.210 0.200 . 1 . . . . 66 Gly C . 19968 1 704 . 1 1 66 66 GLY CA C 13 45.357 0.200 . 1 . . . . 66 Gly CA . 19968 1 705 . 1 1 66 66 GLY N N 15 108.734 0.200 . 1 . . . . 66 Gly N . 19968 1 706 . 1 1 67 67 GLU H H 1 8.207 0.020 . 1 . . . . 67 Glu H . 19968 1 707 . 1 1 67 67 GLU HA H 1 4.307 0.020 . 1 . . . . 67 Glu HA . 19968 1 708 . 1 1 67 67 GLU HB2 H 1 2.018 0.020 . 2 . . . . 67 Glu HB2 . 19968 1 709 . 1 1 67 67 GLU HB3 H 1 2.037 0.020 . 2 . . . . 67 Glu HB3 . 19968 1 710 . 1 1 67 67 GLU HG2 H 1 2.205 0.020 . 2 . . . . 67 Glu HG2 . 19968 1 711 . 1 1 67 67 GLU HG3 H 1 2.219 0.020 . 2 . . . . 67 Glu HG3 . 19968 1 712 . 1 1 67 67 GLU C C 13 175.614 0.200 . 1 . . . . 67 Glu C . 19968 1 713 . 1 1 67 67 GLU CA C 13 56.426 0.200 . 1 . . . . 67 Glu CA . 19968 1 714 . 1 1 67 67 GLU CB C 13 30.857 0.200 . 1 . . . . 67 Glu CB . 19968 1 715 . 1 1 67 67 GLU CG C 13 36.364 0.200 . 1 . . . . 67 Glu CG . 19968 1 716 . 1 1 67 67 GLU N N 15 119.480 0.200 . 1 . . . . 67 Glu N . 19968 1 717 . 1 1 68 68 GLU H H 1 8.401 0.020 . 1 . . . . 68 Glu H . 19968 1 718 . 1 1 68 68 GLU HA H 1 4.272 0.020 . 1 . . . . 68 Glu HA . 19968 1 719 . 1 1 68 68 GLU HB2 H 1 1.893 0.020 . 2 . . . . 68 Glu HB2 . 19968 1 720 . 1 1 68 68 GLU HB3 H 1 2.028 0.020 . 2 . . . . 68 Glu HB3 . 19968 1 721 . 1 1 68 68 GLU HG2 H 1 2.238 0.020 . 2 . . . . 68 Glu HG2 . 19968 1 722 . 1 1 68 68 GLU HG3 H 1 2.245 0.020 . 2 . . . . 68 Glu HG3 . 19968 1 723 . 1 1 68 68 GLU C C 13 175.279 0.200 . 1 . . . . 68 Glu C . 19968 1 724 . 1 1 68 68 GLU CA C 13 56.550 0.200 . 1 . . . . 68 Glu CA . 19968 1 725 . 1 1 68 68 GLU CB C 13 30.671 0.200 . 1 . . . . 68 Glu CB . 19968 1 726 . 1 1 68 68 GLU CG C 13 36.379 0.200 . 1 . . . . 68 Glu CG . 19968 1 727 . 1 1 68 68 GLU N N 15 121.175 0.200 . 1 . . . . 68 Glu N . 19968 1 728 . 1 1 69 69 ILE H H 1 8.294 0.020 . 1 . . . . 69 Ile H . 19968 1 729 . 1 1 69 69 ILE HA H 1 4.145 0.020 . 1 . . . . 69 Ile HA . 19968 1 730 . 1 1 69 69 ILE HB H 1 1.840 0.020 . 1 . . . . 69 Ile HB . 19968 1 731 . 1 1 69 69 ILE HG12 H 1 1.171 0.020 . 2 . . . . 69 Ile HG12 . 19968 1 732 . 1 1 69 69 ILE HG13 H 1 1.469 0.020 . 2 . . . . 69 Ile HG13 . 19968 1 733 . 1 1 69 69 ILE HG21 H 1 0.873 0.020 . 1 . . . . 69 Ile HG21 . 19968 1 734 . 1 1 69 69 ILE HG22 H 1 0.873 0.020 . 1 . . . . 69 Ile HG22 . 19968 1 735 . 1 1 69 69 ILE HG23 H 1 0.873 0.020 . 1 . . . . 69 Ile HG23 . 19968 1 736 . 1 1 69 69 ILE HD11 H 1 0.852 0.020 . 1 . . . . 69 Ile HD11 . 19968 1 737 . 1 1 69 69 ILE HD12 H 1 0.852 0.020 . 1 . . . . 69 Ile HD12 . 19968 1 738 . 1 1 69 69 ILE HD13 H 1 0.852 0.020 . 1 . . . . 69 Ile HD13 . 19968 1 739 . 1 1 69 69 ILE C C 13 175.214 0.200 . 1 . . . . 69 Ile C . 19968 1 740 . 1 1 69 69 ILE CA C 13 60.838 0.200 . 1 . . . . 69 Ile CA . 19968 1 741 . 1 1 69 69 ILE CB C 13 38.573 0.200 . 1 . . . . 69 Ile CB . 19968 1 742 . 1 1 69 69 ILE CG1 C 13 27.271 0.200 . 1 . . . . 69 Ile CG1 . 19968 1 743 . 1 1 69 69 ILE CG2 C 13 17.582 0.200 . 1 . . . . 69 Ile CG2 . 19968 1 744 . 1 1 69 69 ILE CD1 C 13 12.749 0.200 . 1 . . . . 69 Ile CD1 . 19968 1 745 . 1 1 69 69 ILE N N 15 122.780 0.200 . 1 . . . . 69 Ile N . 19968 1 746 . 1 1 70 70 LEU H H 1 8.380 0.020 . 1 . . . . 70 Leu H . 19968 1 747 . 1 1 70 70 LEU HA H 1 4.409 0.020 . 1 . . . . 70 Leu HA . 19968 1 748 . 1 1 70 70 LEU HB2 H 1 1.628 0.020 . 2 . . . . 70 Leu HB2 . 19968 1 749 . 1 1 70 70 LEU HB3 H 1 1.583 0.020 . 2 . . . . 70 Leu HB3 . 19968 1 750 . 1 1 70 70 LEU HG H 1 1.565 0.020 . 1 . . . . 70 Leu HG . 19968 1 751 . 1 1 70 70 LEU HD11 H 1 0.926 0.020 . 2 . . . . 70 Leu HD11 . 19968 1 752 . 1 1 70 70 LEU HD12 H 1 0.926 0.020 . 2 . . . . 70 Leu HD12 . 19968 1 753 . 1 1 70 70 LEU HD13 H 1 0.926 0.020 . 2 . . . . 70 Leu HD13 . 19968 1 754 . 1 1 70 70 LEU HD21 H 1 0.861 0.020 . 2 . . . . 70 Leu HD21 . 19968 1 755 . 1 1 70 70 LEU HD22 H 1 0.861 0.020 . 2 . . . . 70 Leu HD22 . 19968 1 756 . 1 1 70 70 LEU HD23 H 1 0.861 0.020 . 2 . . . . 70 Leu HD23 . 19968 1 757 . 1 1 70 70 LEU C C 13 176.216 0.200 . 1 . . . . 70 Leu C . 19968 1 758 . 1 1 70 70 LEU CA C 13 54.933 0.200 . 1 . . . . 70 Leu CA . 19968 1 759 . 1 1 70 70 LEU CB C 13 42.584 0.200 . 1 . . . . 70 Leu CB . 19968 1 760 . 1 1 70 70 LEU CG C 13 27.125 0.200 . 1 . . . . 70 Leu CG . 19968 1 761 . 1 1 70 70 LEU CD1 C 13 24.783 0.200 . 2 . . . . 70 Leu CD1 . 19968 1 762 . 1 1 70 70 LEU CD2 C 13 23.701 0.200 . 2 . . . . 70 Leu CD2 . 19968 1 763 . 1 1 70 70 LEU N N 15 126.762 0.200 . 1 . . . . 70 Leu N . 19968 1 764 . 1 1 71 71 GLU H H 1 8.340 0.020 . 1 . . . . 71 Glu H . 19968 1 765 . 1 1 71 71 GLU HA H 1 4.272 0.020 . 1 . . . . 71 Glu HA . 19968 1 766 . 1 1 71 71 GLU HB2 H 1 1.901 0.020 . 2 . . . . 71 Glu HB2 . 19968 1 767 . 1 1 71 71 GLU HB3 H 1 1.986 0.020 . 2 . . . . 71 Glu HB3 . 19968 1 768 . 1 1 71 71 GLU HG2 H 1 2.218 0.020 . 2 . . . . 71 Glu HG2 . 19968 1 769 . 1 1 71 71 GLU HG3 H 1 2.222 0.020 . 2 . . . . 71 Glu HG3 . 19968 1 770 . 1 1 71 71 GLU C C 13 175.350 0.200 . 1 . . . . 71 Glu C . 19968 1 771 . 1 1 71 71 GLU CA C 13 56.424 0.200 . 1 . . . . 71 Glu CA . 19968 1 772 . 1 1 71 71 GLU CB C 13 30.782 0.200 . 1 . . . . 71 Glu CB . 19968 1 773 . 1 1 71 71 GLU CG C 13 36.391 0.200 . 1 . . . . 71 Glu CG . 19968 1 774 . 1 1 71 71 GLU N N 15 121.567 0.200 . 1 . . . . 71 Glu N . 19968 1 775 . 1 1 72 72 GLU H H 1 8.443 0.020 . 1 . . . . 72 Glu H . 19968 1 776 . 1 1 72 72 GLU HA H 1 4.303 0.020 . 1 . . . . 72 Glu HA . 19968 1 777 . 1 1 72 72 GLU HB2 H 1 2.031 0.020 . 2 . . . . 72 Glu HB2 . 19968 1 778 . 1 1 72 72 GLU HB3 H 1 1.916 0.020 . 2 . . . . 72 Glu HB3 . 19968 1 779 . 1 1 72 72 GLU HG2 H 1 2.208 0.020 . 2 . . . . 72 Glu HG2 . 19968 1 780 . 1 1 72 72 GLU HG3 H 1 2.216 0.020 . 2 . . . . 72 Glu HG3 . 19968 1 781 . 1 1 72 72 GLU CA C 13 56.461 0.200 . 1 . . . . 72 Glu CA . 19968 1 782 . 1 1 72 72 GLU CB C 13 30.619 0.200 . 1 . . . . 72 Glu CB . 19968 1 783 . 1 1 72 72 GLU CG C 13 36.468 0.200 . 1 . . . . 72 Glu CG . 19968 1 784 . 1 1 72 72 GLU N N 15 121.920 0.200 . 1 . . . . 72 Glu N . 19968 1 785 . 1 1 73 73 VAL H H 1 8.268 0.020 . 1 . . . . 73 Val H . 19968 1 786 . 1 1 73 73 VAL HA H 1 4.159 0.020 . 1 . . . . 73 Val HA . 19968 1 787 . 1 1 73 73 VAL HB H 1 2.105 0.020 . 1 . . . . 73 Val HB . 19968 1 788 . 1 1 73 73 VAL HG11 H 1 0.942 0.020 . 2 . . . . 73 Val HG11 . 19968 1 789 . 1 1 73 73 VAL HG12 H 1 0.942 0.020 . 2 . . . . 73 Val HG12 . 19968 1 790 . 1 1 73 73 VAL HG13 H 1 0.942 0.020 . 2 . . . . 73 Val HG13 . 19968 1 791 . 1 1 73 73 VAL HG21 H 1 0.946 0.020 . 2 . . . . 73 Val HG21 . 19968 1 792 . 1 1 73 73 VAL HG22 H 1 0.946 0.020 . 2 . . . . 73 Val HG22 . 19968 1 793 . 1 1 73 73 VAL HG23 H 1 0.946 0.020 . 2 . . . . 73 Val HG23 . 19968 1 794 . 1 1 73 73 VAL C C 13 175.961 0.200 . 1 . . . . 73 Val C . 19968 1 795 . 1 1 73 73 VAL CA C 13 62.402 0.200 . 1 . . . . 73 Val CA . 19968 1 796 . 1 1 73 73 VAL CB C 13 32.966 0.200 . 1 . . . . 73 Val CB . 19968 1 797 . 1 1 73 73 VAL CG1 C 13 20.470 0.200 . 2 . . . . 73 Val CG1 . 19968 1 798 . 1 1 73 73 VAL CG2 C 13 21.266 0.200 . 2 . . . . 73 Val CG2 . 19968 1 799 . 1 1 73 73 VAL N N 15 120.685 0.200 . 1 . . . . 73 Val N . 19968 1 800 . 1 1 74 74 GLY H H 1 8.491 0.020 . 1 . . . . 74 Gly H . 19968 1 801 . 1 1 74 74 GLY HA2 H 1 3.983 0.020 . 2 . . . . 74 Gly HA2 . 19968 1 802 . 1 1 74 74 GLY HA3 H 1 3.973 0.020 . 2 . . . . 74 Gly HA3 . 19968 1 803 . 1 1 74 74 GLY C C 13 173.613 0.200 . 1 . . . . 74 Gly C . 19968 1 804 . 1 1 74 74 GLY CA C 13 45.496 0.200 . 1 . . . . 74 Gly CA . 19968 1 805 . 1 1 74 74 GLY N N 15 111.433 0.200 . 1 . . . . 74 Gly N . 19968 1 806 . 1 1 75 75 GLY H H 1 8.212 0.020 . 1 . . . . 75 Gly H . 19968 1 807 . 1 1 75 75 GLY HA2 H 1 3.935 0.020 . 2 . . . . 75 Gly HA2 . 19968 1 808 . 1 1 75 75 GLY HA3 H 1 3.994 0.020 . 2 . . . . 75 Gly HA3 . 19968 1 809 . 1 1 75 75 GLY C C 13 172.733 0.200 . 1 . . . . 75 Gly C . 19968 1 810 . 1 1 75 75 GLY CA C 13 44.907 0.200 . 1 . . . . 75 Gly CA . 19968 1 811 . 1 1 75 75 GLY N N 15 107.770 0.200 . 1 . . . . 75 Gly N . 19968 1 812 . 1 1 76 76 ASP H H 1 8.356 0.020 . 1 . . . . 76 Asp H . 19968 1 813 . 1 1 76 76 ASP HA H 1 4.892 0.020 . 1 . . . . 76 Asp HA . 19968 1 814 . 1 1 76 76 ASP HB2 H 1 2.482 0.020 . 2 . . . . 76 Asp HB2 . 19968 1 815 . 1 1 76 76 ASP HB3 H 1 2.720 0.020 . 2 . . . . 76 Asp HB3 . 19968 1 816 . 1 1 76 76 ASP CA C 13 52.600 0.200 . 1 . . . . 76 Asp CA . 19968 1 817 . 1 1 76 76 ASP CB C 13 41.052 0.200 . 1 . . . . 76 Asp CB . 19968 1 818 . 1 1 76 76 ASP N N 15 120.680 0.200 . 1 . . . . 76 Asp N . 19968 1 819 . 1 1 77 77 PRO HA H 1 4.417 0.020 . 1 . . . . 77 Pro HA . 19968 1 820 . 1 1 77 77 PRO HB2 H 1 1.943 0.020 . 2 . . . . 77 Pro HB2 . 19968 1 821 . 1 1 77 77 PRO HB3 H 1 2.296 0.020 . 2 . . . . 77 Pro HB3 . 19968 1 822 . 1 1 77 77 PRO HG2 H 1 2.022 0.020 . 2 . . . . 77 Pro HG2 . 19968 1 823 . 1 1 77 77 PRO HG3 H 1 2.022 0.020 . 2 . . . . 77 Pro HG3 . 19968 1 824 . 1 1 77 77 PRO HD2 H 1 3.858 0.020 . 2 . . . . 77 Pro HD2 . 19968 1 825 . 1 1 77 77 PRO HD3 H 1 3.741 0.020 . 2 . . . . 77 Pro HD3 . 19968 1 826 . 1 1 77 77 PRO C C 13 176.401 0.200 . 1 . . . . 77 Pro C . 19968 1 827 . 1 1 77 77 PRO CA C 13 63.404 0.200 . 1 . . . . 77 Pro CA . 19968 1 828 . 1 1 77 77 PRO CB C 13 32.281 0.200 . 1 . . . . 77 Pro CB . 19968 1 829 . 1 1 77 77 PRO CG C 13 27.339 0.200 . 1 . . . . 77 Pro CG . 19968 1 830 . 1 1 77 77 PRO CD C 13 50.787 0.200 . 1 . . . . 77 Pro CD . 19968 1 831 . 1 1 78 78 GLU H H 1 8.511 0.020 . 1 . . . . 78 Glu H . 19968 1 832 . 1 1 78 78 GLU HA H 1 4.233 0.020 . 1 . . . . 78 Glu HA . 19968 1 833 . 1 1 78 78 GLU HB2 H 1 2.044 0.020 . 2 . . . . 78 Glu HB2 . 19968 1 834 . 1 1 78 78 GLU HB3 H 1 1.912 0.020 . 2 . . . . 78 Glu HB3 . 19968 1 835 . 1 1 78 78 GLU HG2 H 1 2.292 0.020 . 2 . . . . 78 Glu HG2 . 19968 1 836 . 1 1 78 78 GLU HG3 H 1 2.234 0.020 . 2 . . . . 78 Glu HG3 . 19968 1 837 . 1 1 78 78 GLU C C 13 175.943 0.200 . 1 . . . . 78 Glu C . 19968 1 838 . 1 1 78 78 GLU CA C 13 56.505 0.200 . 1 . . . . 78 Glu CA . 19968 1 839 . 1 1 78 78 GLU CB C 13 33.371 0.200 . 1 . . . . 78 Glu CB . 19968 1 840 . 1 1 78 78 GLU CG C 13 36.415 0.200 . 1 . . . . 78 Glu CG . 19968 1 841 . 1 1 78 78 GLU N N 15 119.671 0.200 . 1 . . . . 78 Glu N . 19968 1 842 . 1 1 79 79 GLU H H 1 8.495 0.020 . 1 . . . . 79 Glu H . 19968 1 843 . 1 1 79 79 GLU HA H 1 4.277 0.020 . 1 . . . . 79 Glu HA . 19968 1 844 . 1 1 79 79 GLU HB2 H 1 1.987 0.020 . 2 . . . . 79 Glu HB2 . 19968 1 845 . 1 1 79 79 GLU HB3 H 1 1.911 0.020 . 2 . . . . 79 Glu HB3 . 19968 1 846 . 1 1 79 79 GLU HG2 H 1 2.226 0.020 . 2 . . . . 79 Glu HG2 . 19968 1 847 . 1 1 79 79 GLU HG3 H 1 2.233 0.020 . 2 . . . . 79 Glu HG3 . 19968 1 848 . 1 1 79 79 GLU CA C 13 56.505 0.200 . 1 . . . . 79 Glu CA . 19968 1 849 . 1 1 79 79 GLU CB C 13 30.594 0.200 . 1 . . . . 79 Glu CB . 19968 1 850 . 1 1 79 79 GLU CG C 13 36.415 0.200 . 1 . . . . 79 Glu CG . 19968 1 851 . 1 1 79 79 GLU N N 15 121.593 0.200 . 1 . . . . 79 Glu N . 19968 1 852 . 1 1 81 81 ASP HA H 1 4.562 0.020 . 1 . . . . 81 Asp HA . 19968 1 853 . 1 1 81 81 ASP HB2 H 1 2.638 0.020 . 2 . . . . 81 Asp HB2 . 19968 1 854 . 1 1 81 81 ASP HB3 H 1 2.591 0.020 . 2 . . . . 81 Asp HB3 . 19968 1 855 . 1 1 82 82 ASP H H 1 8.290 0.020 . 1 . . . . 82 Asp H . 19968 1 856 . 1 1 82 82 ASP HA H 1 4.545 0.020 . 1 . . . . 82 Asp HA . 19968 1 857 . 1 1 82 82 ASP HB2 H 1 2.647 0.020 . 2 . . . . 82 Asp HB2 . 19968 1 858 . 1 1 82 82 ASP HB3 H 1 2.599 0.020 . 2 . . . . 82 Asp HB3 . 19968 1 859 . 1 1 82 82 ASP CA C 13 54.281 0.200 . 1 . . . . 82 Asp CA . 19968 1 860 . 1 1 82 82 ASP CB C 13 41.299 0.200 . 1 . . . . 82 Asp CB . 19968 1 861 . 1 1 82 82 ASP N N 15 119.830 0.200 . 1 . . . . 82 Asp N . 19968 1 862 . 1 1 83 83 HIS H H 1 8.193 0.020 . 1 . . . . 83 His H . 19968 1 863 . 1 1 83 83 HIS HA H 1 4.613 0.020 . 1 . . . . 83 His HA . 19968 1 864 . 1 1 83 83 HIS HB2 H 1 3.093 0.020 . 2 . . . . 83 His HB2 . 19968 1 865 . 1 1 83 83 HIS HB3 H 1 3.160 0.020 . 2 . . . . 83 His HB3 . 19968 1 866 . 1 1 83 83 HIS CA C 13 56.004 0.200 . 1 . . . . 83 His CA . 19968 1 867 . 1 1 83 83 HIS CB C 13 30.160 0.200 . 1 . . . . 83 His CB . 19968 1 868 . 1 1 83 83 HIS N N 15 118.209 0.200 . 1 . . . . 83 His N . 19968 1 869 . 1 1 84 84 HIS C C 13 176.500 0.200 . 1 . . . . 84 His C . 19968 1 870 . 1 1 84 84 HIS CA C 13 57.288 0.200 . 1 . . . . 84 His CA . 19968 1 871 . 1 1 84 84 HIS CB C 13 30.258 0.200 . 1 . . . . 84 His CB . 19968 1 872 . 1 1 85 85 MET H H 1 8.560 0.020 . 1 . . . . 85 Met H . 19968 1 873 . 1 1 85 85 MET HA H 1 4.228 0.020 . 1 . . . . 85 Met HA . 19968 1 874 . 1 1 85 85 MET HB2 H 1 1.807 0.020 . 2 . . . . 85 Met HB2 . 19968 1 875 . 1 1 85 85 MET HB3 H 1 1.862 0.020 . 2 . . . . 85 Met HB3 . 19968 1 876 . 1 1 85 85 MET HG2 H 1 2.524 0.020 . 2 . . . . 85 Met HG2 . 19968 1 877 . 1 1 85 85 MET HG3 H 1 2.537 0.020 . 2 . . . . 85 Met HG3 . 19968 1 878 . 1 1 85 85 MET C C 13 175.936 0.200 . 1 . . . . 85 Met C . 19968 1 879 . 1 1 85 85 MET CA C 13 56.059 0.200 . 1 . . . . 85 Met CA . 19968 1 880 . 1 1 85 85 MET CB C 13 33.449 0.200 . 1 . . . . 85 Met CB . 19968 1 881 . 1 1 85 85 MET CG C 13 31.851 0.200 . 1 . . . . 85 Met CG . 19968 1 882 . 1 1 85 85 MET N N 15 118.963 0.200 . 1 . . . . 85 Met N . 19968 1 883 . 1 1 86 86 GLU H H 1 8.701 0.020 . 1 . . . . 86 Glu H . 19968 1 884 . 1 1 86 86 GLU HA H 1 4.121 0.020 . 1 . . . . 86 Glu HA . 19968 1 885 . 1 1 86 86 GLU HB2 H 1 1.989 0.020 . 2 . . . . 86 Glu HB2 . 19968 1 886 . 1 1 86 86 GLU HB3 H 1 1.777 0.020 . 2 . . . . 86 Glu HB3 . 19968 1 887 . 1 1 86 86 GLU HG2 H 1 2.062 0.020 . 2 . . . . 86 Glu HG2 . 19968 1 888 . 1 1 86 86 GLU HG3 H 1 2.164 0.020 . 2 . . . . 86 Glu HG3 . 19968 1 889 . 1 1 86 86 GLU C C 13 173.259 0.200 . 1 . . . . 86 Glu C . 19968 1 890 . 1 1 86 86 GLU CA C 13 56.253 0.200 . 1 . . . . 86 Glu CA . 19968 1 891 . 1 1 86 86 GLU CB C 13 29.762 0.200 . 1 . . . . 86 Glu CB . 19968 1 892 . 1 1 86 86 GLU CG C 13 36.415 0.200 . 1 . . . . 86 Glu CG . 19968 1 893 . 1 1 86 86 GLU N N 15 120.523 0.200 . 1 . . . . 86 Glu N . 19968 1 894 . 1 1 87 87 PHE H H 1 6.942 0.020 . 1 . . . . 87 Phe H . 19968 1 895 . 1 1 87 87 PHE HA H 1 4.474 0.020 . 1 . . . . 87 Phe HA . 19968 1 896 . 1 1 87 87 PHE HB2 H 1 2.456 0.020 . 2 . . . . 87 Phe HB2 . 19968 1 897 . 1 1 87 87 PHE HB3 H 1 2.702 0.020 . 2 . . . . 87 Phe HB3 . 19968 1 898 . 1 1 87 87 PHE HD1 H 1 6.929 0.020 . 3 . . . . 87 Phe HD1 . 19968 1 899 . 1 1 87 87 PHE HD2 H 1 6.929 0.020 . 3 . . . . 87 Phe HD2 . 19968 1 900 . 1 1 87 87 PHE HE1 H 1 7.264 0.020 . 3 . . . . 87 Phe HE1 . 19968 1 901 . 1 1 87 87 PHE HE2 H 1 7.264 0.020 . 3 . . . . 87 Phe HE2 . 19968 1 902 . 1 1 87 87 PHE C C 13 171.278 0.200 . 1 . . . . 87 Phe C . 19968 1 903 . 1 1 87 87 PHE CA C 13 54.574 0.200 . 1 . . . . 87 Phe CA . 19968 1 904 . 1 1 87 87 PHE CB C 13 41.373 0.200 . 1 . . . . 87 Phe CB . 19968 1 905 . 1 1 87 87 PHE N N 15 114.419 0.200 . 1 . . . . 87 Phe N . 19968 1 906 . 1 1 88 88 CYS H H 1 8.252 0.020 . 1 . . . . 88 Cys H . 19968 1 907 . 1 1 88 88 CYS HA H 1 3.894 0.020 . 1 . . . . 88 Cys HA . 19968 1 908 . 1 1 88 88 CYS HB2 H 1 1.865 0.020 . 2 . . . . 88 Cys HB2 . 19968 1 909 . 1 1 88 88 CYS HB3 H 1 3.333 0.020 . 2 . . . . 88 Cys HB3 . 19968 1 910 . 1 1 88 88 CYS C C 13 176.862 0.200 . 1 . . . . 88 Cys C . 19968 1 911 . 1 1 88 88 CYS CA C 13 57.622 0.200 . 1 . . . . 88 Cys CA . 19968 1 912 . 1 1 88 88 CYS CB C 13 31.554 0.200 . 1 . . . . 88 Cys CB . 19968 1 913 . 1 1 88 88 CYS N N 15 120.075 0.200 . 1 . . . . 88 Cys N . 19968 1 914 . 1 1 89 89 ARG H H 1 8.612 0.020 . 1 . . . . 89 Arg H . 19968 1 915 . 1 1 89 89 ARG HA H 1 3.918 0.020 . 1 . . . . 89 Arg HA . 19968 1 916 . 1 1 89 89 ARG HB2 H 1 1.625 0.020 . 2 . . . . 89 Arg HB2 . 19968 1 917 . 1 1 89 89 ARG HB3 H 1 1.459 0.020 . 2 . . . . 89 Arg HB3 . 19968 1 918 . 1 1 89 89 ARG HG2 H 1 1.628 0.020 . 2 . . . . 89 Arg HG2 . 19968 1 919 . 1 1 89 89 ARG HG3 H 1 1.700 0.020 . 2 . . . . 89 Arg HG3 . 19968 1 920 . 1 1 89 89 ARG HD2 H 1 3.140 0.020 . 2 . . . . 89 Arg HD2 . 19968 1 921 . 1 1 89 89 ARG HD3 H 1 3.251 0.020 . 2 . . . . 89 Arg HD3 . 19968 1 922 . 1 1 89 89 ARG C C 13 175.967 0.200 . 1 . . . . 89 Arg C . 19968 1 923 . 1 1 89 89 ARG CA C 13 58.581 0.200 . 1 . . . . 89 Arg CA . 19968 1 924 . 1 1 89 89 ARG CB C 13 30.990 0.200 . 1 . . . . 89 Arg CB . 19968 1 925 . 1 1 89 89 ARG CG C 13 27.450 0.200 . 1 . . . . 89 Arg CG . 19968 1 926 . 1 1 89 89 ARG CD C 13 43.674 0.200 . 1 . . . . 89 Arg CD . 19968 1 927 . 1 1 89 89 ARG N N 15 127.580 0.200 . 1 . . . . 89 Arg N . 19968 1 928 . 1 1 90 90 VAL H H 1 8.862 0.020 . 1 . . . . 90 Val H . 19968 1 929 . 1 1 90 90 VAL HA H 1 3.992 0.020 . 1 . . . . 90 Val HA . 19968 1 930 . 1 1 90 90 VAL HB H 1 2.284 0.020 . 1 . . . . 90 Val HB . 19968 1 931 . 1 1 90 90 VAL HG11 H 1 1.297 0.020 . 2 . . . . 90 Val HG11 . 19968 1 932 . 1 1 90 90 VAL HG12 H 1 1.297 0.020 . 2 . . . . 90 Val HG12 . 19968 1 933 . 1 1 90 90 VAL HG13 H 1 1.297 0.020 . 2 . . . . 90 Val HG13 . 19968 1 934 . 1 1 90 90 VAL HG21 H 1 1.125 0.020 . 2 . . . . 90 Val HG21 . 19968 1 935 . 1 1 90 90 VAL HG22 H 1 1.125 0.020 . 2 . . . . 90 Val HG22 . 19968 1 936 . 1 1 90 90 VAL HG23 H 1 1.125 0.020 . 2 . . . . 90 Val HG23 . 19968 1 937 . 1 1 90 90 VAL C C 13 176.308 0.200 . 1 . . . . 90 Val C . 19968 1 938 . 1 1 90 90 VAL CA C 13 65.523 0.200 . 1 . . . . 90 Val CA . 19968 1 939 . 1 1 90 90 VAL CB C 13 33.294 0.200 . 1 . . . . 90 Val CB . 19968 1 940 . 1 1 90 90 VAL CG1 C 13 21.890 0.200 . 2 . . . . 90 Val CG1 . 19968 1 941 . 1 1 90 90 VAL CG2 C 13 20.696 0.200 . 2 . . . . 90 Val CG2 . 19968 1 942 . 1 1 90 90 VAL N N 15 119.342 0.200 . 1 . . . . 90 Val N . 19968 1 943 . 1 1 91 91 CYS H H 1 8.081 0.020 . 1 . . . . 91 Cys H . 19968 1 944 . 1 1 91 91 CYS HA H 1 4.909 0.020 . 1 . . . . 91 Cys HA . 19968 1 945 . 1 1 91 91 CYS HB2 H 1 3.376 0.020 . 2 . . . . 91 Cys HB2 . 19968 1 946 . 1 1 91 91 CYS HB3 H 1 2.980 0.020 . 2 . . . . 91 Cys HB3 . 19968 1 947 . 1 1 91 91 CYS C C 13 175.436 0.200 . 1 . . . . 91 Cys C . 19968 1 948 . 1 1 91 91 CYS CA C 13 59.395 0.200 . 1 . . . . 91 Cys CA . 19968 1 949 . 1 1 91 91 CYS CB C 13 31.499 0.200 . 1 . . . . 91 Cys CB . 19968 1 950 . 1 1 91 91 CYS N N 15 116.693 0.200 . 1 . . . . 91 Cys N . 19968 1 951 . 1 1 92 92 LYS H H 1 8.105 0.020 . 1 . . . . 92 Lys H . 19968 1 952 . 1 1 92 92 LYS HA H 1 4.155 0.020 . 1 . . . . 92 Lys HA . 19968 1 953 . 1 1 92 92 LYS HB2 H 1 2.188 0.020 . 2 . . . . 92 Lys HB2 . 19968 1 954 . 1 1 92 92 LYS HB3 H 1 1.815 0.020 . 2 . . . . 92 Lys HB3 . 19968 1 955 . 1 1 92 92 LYS C C 13 173.638 0.200 . 1 . . . . 92 Lys C . 19968 1 956 . 1 1 92 92 LYS CA C 13 58.287 0.200 . 1 . . . . 92 Lys CA . 19968 1 957 . 1 1 92 92 LYS CB C 13 28.919 0.200 . 1 . . . . 92 Lys CB . 19968 1 958 . 1 1 92 92 LYS N N 15 115.695 0.200 . 1 . . . . 92 Lys N . 19968 1 959 . 1 1 93 93 ASP H H 1 8.570 0.020 . 1 . . . . 93 Asp H . 19968 1 960 . 1 1 93 93 ASP HA H 1 5.283 0.020 . 1 . . . . 93 Asp HA . 19968 1 961 . 1 1 93 93 ASP HB2 H 1 2.985 0.020 . 2 . . . . 93 Asp HB2 . 19968 1 962 . 1 1 93 93 ASP HB3 H 1 3.067 0.020 . 2 . . . . 93 Asp HB3 . 19968 1 963 . 1 1 93 93 ASP C C 13 176.464 0.200 . 1 . . . . 93 Asp C . 19968 1 964 . 1 1 93 93 ASP CA C 13 53.317 0.200 . 1 . . . . 93 Asp CA . 19968 1 965 . 1 1 93 93 ASP CB C 13 43.480 0.200 . 1 . . . . 93 Asp CB . 19968 1 966 . 1 1 93 93 ASP N N 15 120.490 0.200 . 1 . . . . 93 Asp N . 19968 1 967 . 1 1 94 94 GLY H H 1 8.553 0.020 . 1 . . . . 94 Gly H . 19968 1 968 . 1 1 94 94 GLY HA2 H 1 4.492 0.020 . 2 . . . . 94 Gly HA2 . 19968 1 969 . 1 1 94 94 GLY HA3 H 1 3.868 0.020 . 2 . . . . 94 Gly HA3 . 19968 1 970 . 1 1 94 94 GLY C C 13 173.496 0.200 . 1 . . . . 94 Gly C . 19968 1 971 . 1 1 94 94 GLY CA C 13 44.011 0.200 . 1 . . . . 94 Gly CA . 19968 1 972 . 1 1 94 94 GLY N N 15 106.781 0.200 . 1 . . . . 94 Gly N . 19968 1 973 . 1 1 95 95 GLY H H 1 8.598 0.020 . 1 . . . . 95 Gly H . 19968 1 974 . 1 1 95 95 GLY HA2 H 1 4.529 0.020 . 2 . . . . 95 Gly HA2 . 19968 1 975 . 1 1 95 95 GLY HA3 H 1 3.655 0.020 . 2 . . . . 95 Gly HA3 . 19968 1 976 . 1 1 95 95 GLY C C 13 171.766 0.200 . 1 . . . . 95 Gly C . 19968 1 977 . 1 1 95 95 GLY CA C 13 44.796 0.200 . 1 . . . . 95 Gly CA . 19968 1 978 . 1 1 95 95 GLY N N 15 109.506 0.200 . 1 . . . . 95 Gly N . 19968 1 979 . 1 1 96 96 GLU H H 1 8.751 0.020 . 1 . . . . 96 Glu H . 19968 1 980 . 1 1 96 96 GLU HA H 1 4.192 0.020 . 1 . . . . 96 Glu HA . 19968 1 981 . 1 1 96 96 GLU HB2 H 1 2.016 0.020 . 2 . . . . 96 Glu HB2 . 19968 1 982 . 1 1 96 96 GLU HB3 H 1 2.068 0.020 . 2 . . . . 96 Glu HB3 . 19968 1 983 . 1 1 96 96 GLU HG2 H 1 2.195 0.020 . 2 . . . . 96 Glu HG2 . 19968 1 984 . 1 1 96 96 GLU HG3 H 1 2.190 0.020 . 2 . . . . 96 Glu HG3 . 19968 1 985 . 1 1 96 96 GLU C C 13 174.252 0.200 . 1 . . . . 96 Glu C . 19968 1 986 . 1 1 96 96 GLU CA C 13 56.678 0.200 . 1 . . . . 96 Glu CA . 19968 1 987 . 1 1 96 96 GLU CB C 13 29.262 0.200 . 1 . . . . 96 Glu CB . 19968 1 988 . 1 1 96 96 GLU CG C 13 36.467 0.200 . 1 . . . . 96 Glu CG . 19968 1 989 . 1 1 96 96 GLU N N 15 123.875 0.200 . 1 . . . . 96 Glu N . 19968 1 990 . 1 1 97 97 LEU H H 1 7.984 0.020 . 1 . . . . 97 Leu H . 19968 1 991 . 1 1 97 97 LEU HA H 1 4.350 0.020 . 1 . . . . 97 Leu HA . 19968 1 992 . 1 1 97 97 LEU HB2 H 1 0.904 0.020 . 2 . . . . 97 Leu HB2 . 19968 1 993 . 1 1 97 97 LEU HB3 H 1 1.454 0.020 . 2 . . . . 97 Leu HB3 . 19968 1 994 . 1 1 97 97 LEU HG H 1 1.220 0.020 . 1 . . . . 97 Leu HG . 19968 1 995 . 1 1 97 97 LEU HD11 H 1 -0.149 0.020 . 2 . . . . 97 Leu HD11 . 19968 1 996 . 1 1 97 97 LEU HD12 H 1 -0.149 0.020 . 2 . . . . 97 Leu HD12 . 19968 1 997 . 1 1 97 97 LEU HD13 H 1 -0.149 0.020 . 2 . . . . 97 Leu HD13 . 19968 1 998 . 1 1 97 97 LEU HD21 H 1 0.427 0.020 . 2 . . . . 97 Leu HD21 . 19968 1 999 . 1 1 97 97 LEU HD22 H 1 0.427 0.020 . 2 . . . . 97 Leu HD22 . 19968 1 1000 . 1 1 97 97 LEU HD23 H 1 0.427 0.020 . 2 . . . . 97 Leu HD23 . 19968 1 1001 . 1 1 97 97 LEU C C 13 174.667 0.200 . 1 . . . . 97 Leu C . 19968 1 1002 . 1 1 97 97 LEU CA C 13 53.639 0.200 . 1 . . . . 97 Leu CA . 19968 1 1003 . 1 1 97 97 LEU CB C 13 44.409 0.200 . 1 . . . . 97 Leu CB . 19968 1 1004 . 1 1 97 97 LEU CG C 13 25.755 0.200 . 1 . . . . 97 Leu CG . 19968 1 1005 . 1 1 97 97 LEU CD1 C 13 22.425 0.200 . 2 . . . . 97 Leu CD1 . 19968 1 1006 . 1 1 97 97 LEU CD2 C 13 25.556 0.200 . 2 . . . . 97 Leu CD2 . 19968 1 1007 . 1 1 97 97 LEU N N 15 123.540 0.200 . 1 . . . . 97 Leu N . 19968 1 1008 . 1 1 98 98 LEU H H 1 8.989 0.020 . 1 . . . . 98 Leu H . 19968 1 1009 . 1 1 98 98 LEU HA H 1 4.346 0.020 . 1 . . . . 98 Leu HA . 19968 1 1010 . 1 1 98 98 LEU HB2 H 1 0.803 0.020 . 2 . . . . 98 Leu HB2 . 19968 1 1011 . 1 1 98 98 LEU HB3 H 1 1.260 0.020 . 2 . . . . 98 Leu HB3 . 19968 1 1012 . 1 1 98 98 LEU HG H 1 0.659 0.020 . 1 . . . . 98 Leu HG . 19968 1 1013 . 1 1 98 98 LEU HD11 H 1 0.386 0.020 . 2 . . . . 98 Leu HD11 . 19968 1 1014 . 1 1 98 98 LEU HD12 H 1 0.386 0.020 . 2 . . . . 98 Leu HD12 . 19968 1 1015 . 1 1 98 98 LEU HD13 H 1 0.386 0.020 . 2 . . . . 98 Leu HD13 . 19968 1 1016 . 1 1 98 98 LEU HD21 H 1 -0.589 0.020 . 2 . . . . 98 Leu HD21 . 19968 1 1017 . 1 1 98 98 LEU HD22 H 1 -0.589 0.020 . 2 . . . . 98 Leu HD22 . 19968 1 1018 . 1 1 98 98 LEU HD23 H 1 -0.589 0.020 . 2 . . . . 98 Leu HD23 . 19968 1 1019 . 1 1 98 98 LEU C C 13 174.693 0.200 . 1 . . . . 98 Leu C . 19968 1 1020 . 1 1 98 98 LEU CA C 13 53.817 0.200 . 1 . . . . 98 Leu CA . 19968 1 1021 . 1 1 98 98 LEU CB C 13 43.482 0.200 . 1 . . . . 98 Leu CB . 19968 1 1022 . 1 1 98 98 LEU CG C 13 26.161 0.200 . 1 . . . . 98 Leu CG . 19968 1 1023 . 1 1 98 98 LEU CD1 C 13 23.316 0.200 . 2 . . . . 98 Leu CD1 . 19968 1 1024 . 1 1 98 98 LEU CD2 C 13 25.541 0.200 . 2 . . . . 98 Leu CD2 . 19968 1 1025 . 1 1 98 98 LEU N N 15 123.998 0.200 . 1 . . . . 98 Leu N . 19968 1 1026 . 1 1 99 99 CYS H H 1 8.485 0.020 . 1 . . . . 99 Cys H . 19968 1 1027 . 1 1 99 99 CYS HA H 1 4.945 0.020 . 1 . . . . 99 Cys HA . 19968 1 1028 . 1 1 99 99 CYS HB2 H 1 2.246 0.020 . 2 . . . . 99 Cys HB2 . 19968 1 1029 . 1 1 99 99 CYS HB3 H 1 2.427 0.020 . 2 . . . . 99 Cys HB3 . 19968 1 1030 . 1 1 99 99 CYS C C 13 173.329 0.200 . 1 . . . . 99 Cys C . 19968 1 1031 . 1 1 99 99 CYS CA C 13 58.076 0.200 . 1 . . . . 99 Cys CA . 19968 1 1032 . 1 1 99 99 CYS CB C 13 28.834 0.200 . 1 . . . . 99 Cys CB . 19968 1 1033 . 1 1 99 99 CYS N N 15 123.327 0.200 . 1 . . . . 99 Cys N . 19968 1 1034 . 1 1 100 100 CYS H H 1 8.627 0.020 . 1 . . . . 100 Cys H . 19968 1 1035 . 1 1 100 100 CYS HA H 1 4.651 0.020 . 1 . . . . 100 Cys HA . 19968 1 1036 . 1 1 100 100 CYS HB2 H 1 3.825 0.020 . 2 . . . . 100 Cys HB2 . 19968 1 1037 . 1 1 100 100 CYS HB3 H 1 2.735 0.020 . 2 . . . . 100 Cys HB3 . 19968 1 1038 . 1 1 100 100 CYS C C 13 175.592 0.200 . 1 . . . . 100 Cys C . 19968 1 1039 . 1 1 100 100 CYS CA C 13 61.119 0.200 . 1 . . . . 100 Cys CA . 19968 1 1040 . 1 1 100 100 CYS CB C 13 30.778 0.200 . 1 . . . . 100 Cys CB . 19968 1 1041 . 1 1 100 100 CYS N N 15 125.987 0.200 . 1 . . . . 100 Cys N . 19968 1 1042 . 1 1 101 101 ASP H H 1 9.063 0.020 . 1 . . . . 101 Asp H . 19968 1 1043 . 1 1 101 101 ASP HA H 1 4.849 0.020 . 1 . . . . 101 Asp HA . 19968 1 1044 . 1 1 101 101 ASP HB2 H 1 2.708 0.020 . 2 . . . . 101 Asp HB2 . 19968 1 1045 . 1 1 101 101 ASP HB3 H 1 2.787 0.020 . 2 . . . . 101 Asp HB3 . 19968 1 1046 . 1 1 101 101 ASP C C 13 177.464 0.200 . 1 . . . . 101 Asp C . 19968 1 1047 . 1 1 101 101 ASP CA C 13 57.915 0.200 . 1 . . . . 101 Asp CA . 19968 1 1048 . 1 1 101 101 ASP CB C 13 43.013 0.200 . 1 . . . . 101 Asp CB . 19968 1 1049 . 1 1 101 101 ASP N N 15 126.576 0.200 . 1 . . . . 101 Asp N . 19968 1 1050 . 1 1 102 102 THR H H 1 9.685 0.020 . 1 . . . . 102 Thr H . 19968 1 1051 . 1 1 102 102 THR HA H 1 4.625 0.020 . 1 . . . . 102 Thr HA . 19968 1 1052 . 1 1 102 102 THR HB H 1 4.602 0.020 . 1 . . . . 102 Thr HB . 19968 1 1053 . 1 1 102 102 THR HG21 H 1 1.042 0.020 . 1 . . . . 102 Thr HG21 . 19968 1 1054 . 1 1 102 102 THR HG22 H 1 1.042 0.020 . 1 . . . . 102 Thr HG22 . 19968 1 1055 . 1 1 102 102 THR HG23 H 1 1.042 0.020 . 1 . . . . 102 Thr HG23 . 19968 1 1056 . 1 1 102 102 THR C C 13 172.828 0.200 . 1 . . . . 102 Thr C . 19968 1 1057 . 1 1 102 102 THR CA C 13 62.125 0.200 . 1 . . . . 102 Thr CA . 19968 1 1058 . 1 1 102 102 THR CB C 13 69.988 0.200 . 1 . . . . 102 Thr CB . 19968 1 1059 . 1 1 102 102 THR CG2 C 13 21.949 0.200 . 1 . . . . 102 Thr CG2 . 19968 1 1060 . 1 1 102 102 THR N N 15 110.705 0.200 . 1 . . . . 102 Thr N . 19968 1 1061 . 1 1 103 103 CYS H H 1 8.204 0.020 . 1 . . . . 103 Cys H . 19968 1 1062 . 1 1 103 103 CYS HA H 1 5.022 0.020 . 1 . . . . 103 Cys HA . 19968 1 1063 . 1 1 103 103 CYS HB2 H 1 2.687 0.020 . 2 . . . . 103 Cys HB2 . 19968 1 1064 . 1 1 103 103 CYS HB3 H 1 3.229 0.020 . 2 . . . . 103 Cys HB3 . 19968 1 1065 . 1 1 103 103 CYS CA C 13 58.444 0.200 . 1 . . . . 103 Cys CA . 19968 1 1066 . 1 1 103 103 CYS CB C 13 30.980 0.200 . 1 . . . . 103 Cys CB . 19968 1 1067 . 1 1 103 103 CYS N N 15 125.527 0.200 . 1 . . . . 103 Cys N . 19968 1 1068 . 1 1 104 104 PRO HA H 1 4.474 0.020 . 1 . . . . 104 Pro HA . 19968 1 1069 . 1 1 104 104 PRO HB2 H 1 1.905 0.020 . 2 . . . . 104 Pro HB2 . 19968 1 1070 . 1 1 104 104 PRO HB3 H 1 2.127 0.020 . 2 . . . . 104 Pro HB3 . 19968 1 1071 . 1 1 104 104 PRO HD2 H 1 3.471 0.020 . 2 . . . . 104 Pro HD2 . 19968 1 1072 . 1 1 104 104 PRO HD3 H 1 3.680 0.020 . 2 . . . . 104 Pro HD3 . 19968 1 1073 . 1 1 104 104 PRO C C 13 175.869 0.200 . 1 . . . . 104 Pro C . 19968 1 1074 . 1 1 104 104 PRO CA C 13 63.615 0.200 . 1 . . . . 104 Pro CA . 19968 1 1075 . 1 1 104 104 PRO CB C 13 31.584 0.200 . 1 . . . . 104 Pro CB . 19968 1 1076 . 1 1 104 104 PRO CG C 13 27.539 0.200 . 1 . . . . 104 Pro CG . 19968 1 1077 . 1 1 105 105 SER H H 1 9.117 0.020 . 1 . . . . 105 Ser H . 19968 1 1078 . 1 1 105 105 SER HA H 1 4.386 0.020 . 1 . . . . 105 Ser HA . 19968 1 1079 . 1 1 105 105 SER HB2 H 1 3.808 0.020 . 2 . . . . 105 Ser HB2 . 19968 1 1080 . 1 1 105 105 SER HB3 H 1 4.244 0.020 . 2 . . . . 105 Ser HB3 . 19968 1 1081 . 1 1 105 105 SER C C 13 171.596 0.200 . 1 . . . . 105 Ser C . 19968 1 1082 . 1 1 105 105 SER CA C 13 61.377 0.200 . 1 . . . . 105 Ser CA . 19968 1 1083 . 1 1 105 105 SER CB C 13 65.156 0.200 . 1 . . . . 105 Ser CB . 19968 1 1084 . 1 1 105 105 SER N N 15 117.990 0.200 . 1 . . . . 105 Ser N . 19968 1 1085 . 1 1 106 106 SER H H 1 7.820 0.020 . 1 . . . . 106 Ser H . 19968 1 1086 . 1 1 106 106 SER HA H 1 5.731 0.020 . 1 . . . . 106 Ser HA . 19968 1 1087 . 1 1 106 106 SER HB2 H 1 3.359 0.020 . 2 . . . . 106 Ser HB2 . 19968 1 1088 . 1 1 106 106 SER HB3 H 1 3.529 0.020 . 2 . . . . 106 Ser HB3 . 19968 1 1089 . 1 1 106 106 SER C C 13 171.380 0.200 . 1 . . . . 106 Ser C . 19968 1 1090 . 1 1 106 106 SER CA C 13 56.835 0.200 . 1 . . . . 106 Ser CA . 19968 1 1091 . 1 1 106 106 SER CB C 13 66.279 0.200 . 1 . . . . 106 Ser CB . 19968 1 1092 . 1 1 106 106 SER N N 15 116.685 0.200 . 1 . . . . 106 Ser N . 19968 1 1093 . 1 1 107 107 TYR H H 1 9.094 0.020 . 1 . . . . 107 Tyr H . 19968 1 1094 . 1 1 107 107 TYR HA H 1 5.532 0.020 . 1 . . . . 107 Tyr HA . 19968 1 1095 . 1 1 107 107 TYR HB2 H 1 2.368 0.020 . 2 . . . . 107 Tyr HB2 . 19968 1 1096 . 1 1 107 107 TYR HB3 H 1 2.974 0.020 . 2 . . . . 107 Tyr HB3 . 19968 1 1097 . 1 1 107 107 TYR HD1 H 1 7.112 0.020 . 3 . . . . 107 Tyr HD1 . 19968 1 1098 . 1 1 107 107 TYR HD2 H 1 7.112 0.020 . 3 . . . . 107 Tyr HD2 . 19968 1 1099 . 1 1 107 107 TYR HE1 H 1 6.873 0.020 . 3 . . . . 107 Tyr HE1 . 19968 1 1100 . 1 1 107 107 TYR HE2 H 1 6.873 0.020 . 3 . . . . 107 Tyr HE2 . 19968 1 1101 . 1 1 107 107 TYR C C 13 175.660 0.200 . 1 . . . . 107 Tyr C . 19968 1 1102 . 1 1 107 107 TYR CA C 13 57.078 0.200 . 1 . . . . 107 Tyr CA . 19968 1 1103 . 1 1 107 107 TYR CB C 13 44.389 0.200 . 1 . . . . 107 Tyr CB . 19968 1 1104 . 1 1 107 107 TYR N N 15 118.005 0.200 . 1 . . . . 107 Tyr N . 19968 1 1105 . 1 1 108 108 HIS H H 1 8.607 0.020 . 1 . . . . 108 His H . 19968 1 1106 . 1 1 108 108 HIS HA H 1 4.852 0.020 . 1 . . . . 108 His HA . 19968 1 1107 . 1 1 108 108 HIS HB2 H 1 3.279 0.020 . 2 . . . . 108 His HB2 . 19968 1 1108 . 1 1 108 108 HIS HB3 H 1 2.650 0.020 . 2 . . . . 108 His HB3 . 19968 1 1109 . 1 1 108 108 HIS HD2 H 1 7.451 0.020 . 1 . . . . 108 His HD2 . 19968 1 1110 . 1 1 108 108 HIS HE1 H 1 7.393 0.020 . 1 . . . . 108 His HE1 . 19968 1 1111 . 1 1 108 108 HIS C C 13 178.224 0.200 . 1 . . . . 108 His C . 19968 1 1112 . 1 1 108 108 HIS CA C 13 57.684 0.200 . 1 . . . . 108 His CA . 19968 1 1113 . 1 1 108 108 HIS CB C 13 31.194 0.200 . 1 . . . . 108 His CB . 19968 1 1114 . 1 1 108 108 HIS N N 15 118.426 0.200 . 1 . . . . 108 His N . 19968 1 1115 . 1 1 109 109 ILE H H 1 9.202 0.020 . 1 . . . . 109 Ile H . 19968 1 1116 . 1 1 109 109 ILE HA H 1 3.853 0.020 . 1 . . . . 109 Ile HA . 19968 1 1117 . 1 1 109 109 ILE HB H 1 2.078 0.020 . 1 . . . . 109 Ile HB . 19968 1 1118 . 1 1 109 109 ILE HG12 H 1 1.463 0.020 . 2 . . . . 109 Ile HG12 . 19968 1 1119 . 1 1 109 109 ILE HG13 H 1 1.289 0.020 . 2 . . . . 109 Ile HG13 . 19968 1 1120 . 1 1 109 109 ILE HG21 H 1 0.786 0.020 . 1 . . . . 109 Ile HG21 . 19968 1 1121 . 1 1 109 109 ILE HG22 H 1 0.786 0.020 . 1 . . . . 109 Ile HG22 . 19968 1 1122 . 1 1 109 109 ILE HG23 H 1 0.786 0.020 . 1 . . . . 109 Ile HG23 . 19968 1 1123 . 1 1 109 109 ILE HD11 H 1 0.650 0.020 . 1 . . . . 109 Ile HD11 . 19968 1 1124 . 1 1 109 109 ILE HD12 H 1 0.650 0.020 . 1 . . . . 109 Ile HD12 . 19968 1 1125 . 1 1 109 109 ILE HD13 H 1 0.650 0.020 . 1 . . . . 109 Ile HD13 . 19968 1 1126 . 1 1 109 109 ILE C C 13 176.104 0.200 . 1 . . . . 109 Ile C . 19968 1 1127 . 1 1 109 109 ILE CA C 13 65.943 0.200 . 1 . . . . 109 Ile CA . 19968 1 1128 . 1 1 109 109 ILE CB C 13 36.436 0.200 . 1 . . . . 109 Ile CB . 19968 1 1129 . 1 1 109 109 ILE CG2 C 13 19.159 0.200 . 1 . . . . 109 Ile CG2 . 19968 1 1130 . 1 1 109 109 ILE CD1 C 13 13.263 0.200 . 1 . . . . 109 Ile CD1 . 19968 1 1131 . 1 1 109 109 ILE N N 15 116.799 0.200 . 1 . . . . 109 Ile N . 19968 1 1132 . 1 1 110 110 HIS H H 1 6.976 0.020 . 1 . . . . 110 His H . 19968 1 1133 . 1 1 110 110 HIS HA H 1 4.779 0.020 . 1 . . . . 110 His HA . 19968 1 1134 . 1 1 110 110 HIS HB2 H 1 3.052 0.020 . 2 . . . . 110 His HB2 . 19968 1 1135 . 1 1 110 110 HIS HB3 H 1 3.412 0.020 . 2 . . . . 110 His HB3 . 19968 1 1136 . 1 1 110 110 HIS C C 13 175.550 0.200 . 1 . . . . 110 His C . 19968 1 1137 . 1 1 110 110 HIS CA C 13 56.615 0.200 . 1 . . . . 110 His CA . 19968 1 1138 . 1 1 110 110 HIS CB C 13 30.158 0.200 . 1 . . . . 110 His CB . 19968 1 1139 . 1 1 110 110 HIS N N 15 111.221 0.200 . 1 . . . . 110 His N . 19968 1 1140 . 1 1 111 111 CYS H H 1 7.349 0.020 . 1 . . . . 111 Cys H . 19968 1 1141 . 1 1 111 111 CYS HA H 1 4.431 0.020 . 1 . . . . 111 Cys HA . 19968 1 1142 . 1 1 111 111 CYS HB2 H 1 2.838 0.020 . 2 . . . . 111 Cys HB2 . 19968 1 1143 . 1 1 111 111 CYS HB3 H 1 3.257 0.020 . 2 . . . . 111 Cys HB3 . 19968 1 1144 . 1 1 111 111 CYS C C 13 174.373 0.200 . 1 . . . . 111 Cys C . 19968 1 1145 . 1 1 111 111 CYS CA C 13 61.359 0.200 . 1 . . . . 111 Cys CA . 19968 1 1146 . 1 1 111 111 CYS CB C 13 30.406 0.200 . 1 . . . . 111 Cys CB . 19968 1 1147 . 1 1 111 111 CYS N N 15 120.219 0.200 . 1 . . . . 111 Cys N . 19968 1 1148 . 1 1 112 112 LEU H H 1 6.474 0.020 . 1 . . . . 112 Leu H . 19968 1 1149 . 1 1 112 112 LEU HA H 1 4.156 0.020 . 1 . . . . 112 Leu HA . 19968 1 1150 . 1 1 112 112 LEU HB2 H 1 1.453 0.020 . 2 . . . . 112 Leu HB2 . 19968 1 1151 . 1 1 112 112 LEU HB3 H 1 1.701 0.020 . 2 . . . . 112 Leu HB3 . 19968 1 1152 . 1 1 112 112 LEU HG H 1 0.795 0.020 . 1 . . . . 112 Leu HG . 19968 1 1153 . 1 1 112 112 LEU HD11 H 1 0.816 0.020 . 2 . . . . 112 Leu HD11 . 19968 1 1154 . 1 1 112 112 LEU HD12 H 1 0.816 0.020 . 2 . . . . 112 Leu HD12 . 19968 1 1155 . 1 1 112 112 LEU HD13 H 1 0.816 0.020 . 2 . . . . 112 Leu HD13 . 19968 1 1156 . 1 1 112 112 LEU HD21 H 1 0.528 0.020 . 2 . . . . 112 Leu HD21 . 19968 1 1157 . 1 1 112 112 LEU HD22 H 1 0.528 0.020 . 2 . . . . 112 Leu HD22 . 19968 1 1158 . 1 1 112 112 LEU HD23 H 1 0.528 0.020 . 2 . . . . 112 Leu HD23 . 19968 1 1159 . 1 1 112 112 LEU C C 13 173.926 0.200 . 1 . . . . 112 Leu C . 19968 1 1160 . 1 1 112 112 LEU CA C 13 54.736 0.200 . 1 . . . . 112 Leu CA . 19968 1 1161 . 1 1 112 112 LEU CB C 13 44.442 0.200 . 1 . . . . 112 Leu CB . 19968 1 1162 . 1 1 112 112 LEU CG C 13 26.919 0.200 . 1 . . . . 112 Leu CG . 19968 1 1163 . 1 1 112 112 LEU CD1 C 13 27.072 0.200 . 2 . . . . 112 Leu CD1 . 19968 1 1164 . 1 1 112 112 LEU CD2 C 13 23.158 0.200 . 2 . . . . 112 Leu CD2 . 19968 1 1165 . 1 1 112 112 LEU N N 15 119.233 0.200 . 1 . . . . 112 Leu N . 19968 1 1166 . 1 1 113 113 ASN H H 1 8.280 0.020 . 1 . . . . 113 Asn H . 19968 1 1167 . 1 1 113 113 ASN HA H 1 4.983 0.020 . 1 . . . . 113 Asn HA . 19968 1 1168 . 1 1 113 113 ASN HB2 H 1 2.607 0.020 . 2 . . . . 113 Asn HB2 . 19968 1 1169 . 1 1 113 113 ASN HB3 H 1 2.892 0.020 . 2 . . . . 113 Asn HB3 . 19968 1 1170 . 1 1 113 113 ASN HD21 H 1 6.867 0.020 . 1 . . . . 113 Asn HD21 . 19968 1 1171 . 1 1 113 113 ASN HD22 H 1 7.564 0.020 . 1 . . . . 113 Asn HD22 . 19968 1 1172 . 1 1 113 113 ASN C C 13 172.225 0.200 . 1 . . . . 113 Asn C . 19968 1 1173 . 1 1 113 113 ASN CA C 13 49.736 0.200 . 1 . . . . 113 Asn CA . 19968 1 1174 . 1 1 113 113 ASN CB C 13 41.031 0.200 . 1 . . . . 113 Asn CB . 19968 1 1175 . 1 1 113 113 ASN CG C 13 176.917 0.200 . 1 . . . . 113 Asn CG . 19968 1 1176 . 1 1 113 113 ASN N N 15 115.542 0.200 . 1 . . . . 113 Asn N . 19968 1 1177 . 1 1 113 113 ASN ND2 N 15 110.945 0.200 . 1 . . . . 113 Asn ND2 . 19968 1 1178 . 1 1 114 114 PRO HA H 1 5.075 0.020 . 1 . . . . 114 Pro HA . 19968 1 1179 . 1 1 114 114 PRO HB2 H 1 2.073 0.020 . 2 . . . . 114 Pro HB2 . 19968 1 1180 . 1 1 114 114 PRO HB3 H 1 2.446 0.020 . 2 . . . . 114 Pro HB3 . 19968 1 1181 . 1 1 114 114 PRO HG3 H 1 1.944 0.020 . 1 . . . . 114 Pro HG3 . 19968 1 1182 . 1 1 114 114 PRO HD2 H 1 3.794 0.020 . 2 . . . . 114 Pro HD2 . 19968 1 1183 . 1 1 114 114 PRO HD3 H 1 3.678 0.020 . 2 . . . . 114 Pro HD3 . 19968 1 1184 . 1 1 114 114 PRO CA C 13 62.116 0.200 . 1 . . . . 114 Pro CA . 19968 1 1185 . 1 1 114 114 PRO CB C 13 33.004 0.200 . 1 . . . . 114 Pro CB . 19968 1 1186 . 1 1 114 114 PRO CG C 13 25.066 0.200 . 1 . . . . 114 Pro CG . 19968 1 1187 . 1 1 114 114 PRO CD C 13 50.217 0.200 . 1 . . . . 114 Pro CD . 19968 1 1188 . 1 1 115 115 PRO HA H 1 4.426 0.020 . 1 . . . . 115 Pro HA . 19968 1 1189 . 1 1 115 115 PRO HB2 H 1 1.950 0.020 . 2 . . . . 115 Pro HB2 . 19968 1 1190 . 1 1 115 115 PRO HB3 H 1 2.295 0.020 . 2 . . . . 115 Pro HB3 . 19968 1 1191 . 1 1 115 115 PRO HG3 H 1 2.030 0.020 . 1 . . . . 115 Pro HG3 . 19968 1 1192 . 1 1 115 115 PRO HD2 H 1 3.772 0.020 . 2 . . . . 115 Pro HD2 . 19968 1 1193 . 1 1 115 115 PRO HD3 H 1 3.874 0.020 . 2 . . . . 115 Pro HD3 . 19968 1 1194 . 1 1 115 115 PRO C C 13 176.891 0.200 . 1 . . . . 115 Pro C . 19968 1 1195 . 1 1 115 115 PRO CA C 13 62.910 0.200 . 1 . . . . 115 Pro CA . 19968 1 1196 . 1 1 115 115 PRO CB C 13 32.385 0.200 . 1 . . . . 115 Pro CB . 19968 1 1197 . 1 1 115 115 PRO CG C 13 27.410 0.200 . 1 . . . . 115 Pro CG . 19968 1 1198 . 1 1 115 115 PRO CD C 13 50.365 0.200 . 1 . . . . 115 Pro CD . 19968 1 1199 . 1 1 116 116 LEU H H 1 7.552 0.020 . 1 . . . . 116 Leu H . 19968 1 1200 . 1 1 116 116 LEU HA H 1 4.816 0.020 . 1 . . . . 116 Leu HA . 19968 1 1201 . 1 1 116 116 LEU HB2 H 1 1.437 0.020 . 2 . . . . 116 Leu HB2 . 19968 1 1202 . 1 1 116 116 LEU HB3 H 1 1.531 0.020 . 2 . . . . 116 Leu HB3 . 19968 1 1203 . 1 1 116 116 LEU HG H 1 1.737 0.020 . 1 . . . . 116 Leu HG . 19968 1 1204 . 1 1 116 116 LEU HD11 H 1 0.690 0.020 . 2 . . . . 116 Leu HD11 . 19968 1 1205 . 1 1 116 116 LEU HD12 H 1 0.690 0.020 . 2 . . . . 116 Leu HD12 . 19968 1 1206 . 1 1 116 116 LEU HD13 H 1 0.690 0.020 . 2 . . . . 116 Leu HD13 . 19968 1 1207 . 1 1 116 116 LEU HD21 H 1 0.917 0.020 . 2 . . . . 116 Leu HD21 . 19968 1 1208 . 1 1 116 116 LEU HD22 H 1 0.917 0.020 . 2 . . . . 116 Leu HD22 . 19968 1 1209 . 1 1 116 116 LEU HD23 H 1 0.917 0.020 . 2 . . . . 116 Leu HD23 . 19968 1 1210 . 1 1 116 116 LEU C C 13 175.762 0.200 . 1 . . . . 116 Leu C . 19968 1 1211 . 1 1 116 116 LEU CA C 13 51.759 0.200 . 1 . . . . 116 Leu CA . 19968 1 1212 . 1 1 116 116 LEU CB C 13 42.977 0.200 . 1 . . . . 116 Leu CB . 19968 1 1213 . 1 1 116 116 LEU CD1 C 13 25.644 0.200 . 2 . . . . 116 Leu CD1 . 19968 1 1214 . 1 1 116 116 LEU CD2 C 13 22.917 0.200 . 2 . . . . 116 Leu CD2 . 19968 1 1215 . 1 1 116 116 LEU N N 15 120.339 0.200 . 1 . . . . 116 Leu N . 19968 1 1216 . 1 1 117 117 PRO HA H 1 4.378 0.020 . 1 . . . . 117 Pro HA . 19968 1 1217 . 1 1 117 117 PRO HB2 H 1 2.013 0.020 . 2 . . . . 117 Pro HB2 . 19968 1 1218 . 1 1 117 117 PRO HB3 H 1 2.246 0.020 . 2 . . . . 117 Pro HB3 . 19968 1 1219 . 1 1 117 117 PRO HD2 H 1 3.884 0.020 . 2 . . . . 117 Pro HD2 . 19968 1 1220 . 1 1 117 117 PRO HD3 H 1 3.780 0.020 . 2 . . . . 117 Pro HD3 . 19968 1 1221 . 1 1 117 117 PRO C C 13 175.583 0.200 . 1 . . . . 117 Pro C . 19968 1 1222 . 1 1 117 117 PRO CA C 13 63.738 0.200 . 1 . . . . 117 Pro CA . 19968 1 1223 . 1 1 117 117 PRO CB C 13 32.190 0.200 . 1 . . . . 117 Pro CB . 19968 1 1224 . 1 1 117 117 PRO CD C 13 50.346 0.200 . 1 . . . . 117 Pro CD . 19968 1 1225 . 1 1 118 118 GLU H H 1 6.972 0.020 . 1 . . . . 118 Glu H . 19968 1 1226 . 1 1 118 118 GLU HA H 1 4.392 0.020 . 1 . . . . 118 Glu HA . 19968 1 1227 . 1 1 118 118 GLU HB2 H 1 1.820 0.020 . 2 . . . . 118 Glu HB2 . 19968 1 1228 . 1 1 118 118 GLU HB3 H 1 2.024 0.020 . 2 . . . . 118 Glu HB3 . 19968 1 1229 . 1 1 118 118 GLU C C 13 173.836 0.200 . 1 . . . . 118 Glu C . 19968 1 1230 . 1 1 118 118 GLU CA C 13 53.870 0.200 . 1 . . . . 118 Glu CA . 19968 1 1231 . 1 1 118 118 GLU CB C 13 32.623 0.200 . 1 . . . . 118 Glu CB . 19968 1 1232 . 1 1 118 118 GLU CG C 13 34.973 0.200 . 1 . . . . 118 Glu CG . 19968 1 1233 . 1 1 118 118 GLU N N 15 111.872 0.200 . 1 . . . . 118 Glu N . 19968 1 1234 . 1 1 119 119 ILE H H 1 8.641 0.020 . 1 . . . . 119 Ile H . 19968 1 1235 . 1 1 119 119 ILE HA H 1 3.929 0.020 . 1 . . . . 119 Ile HA . 19968 1 1236 . 1 1 119 119 ILE HB H 1 1.777 0.020 . 1 . . . . 119 Ile HB . 19968 1 1237 . 1 1 119 119 ILE HG12 H 1 1.073 0.020 . 2 . . . . 119 Ile HG12 . 19968 1 1238 . 1 1 119 119 ILE HG13 H 1 1.586 0.020 . 2 . . . . 119 Ile HG13 . 19968 1 1239 . 1 1 119 119 ILE HG21 H 1 0.905 0.020 . 1 . . . . 119 Ile HG21 . 19968 1 1240 . 1 1 119 119 ILE HG22 H 1 0.905 0.020 . 1 . . . . 119 Ile HG22 . 19968 1 1241 . 1 1 119 119 ILE HG23 H 1 0.905 0.020 . 1 . . . . 119 Ile HG23 . 19968 1 1242 . 1 1 119 119 ILE HD11 H 1 0.780 0.020 . 1 . . . . 119 Ile HD11 . 19968 1 1243 . 1 1 119 119 ILE HD12 H 1 0.780 0.020 . 1 . . . . 119 Ile HD12 . 19968 1 1244 . 1 1 119 119 ILE HD13 H 1 0.780 0.020 . 1 . . . . 119 Ile HD13 . 19968 1 1245 . 1 1 119 119 ILE C C 13 173.539 0.200 . 1 . . . . 119 Ile C . 19968 1 1246 . 1 1 119 119 ILE CA C 13 59.764 0.200 . 1 . . . . 119 Ile CA . 19968 1 1247 . 1 1 119 119 ILE CB C 13 38.129 0.200 . 1 . . . . 119 Ile CB . 19968 1 1248 . 1 1 119 119 ILE CG2 C 13 16.767 0.200 . 1 . . . . 119 Ile CG2 . 19968 1 1249 . 1 1 119 119 ILE CD1 C 13 12.724 0.200 . 1 . . . . 119 Ile CD1 . 19968 1 1250 . 1 1 119 119 ILE N N 15 122.949 0.200 . 1 . . . . 119 Ile N . 19968 1 1251 . 1 1 120 120 PRO HA H 1 4.467 0.020 . 1 . . . . 120 Pro HA . 19968 1 1252 . 1 1 120 120 PRO HB2 H 1 1.970 0.020 . 2 . . . . 120 Pro HB2 . 19968 1 1253 . 1 1 120 120 PRO HB3 H 1 2.322 0.020 . 2 . . . . 120 Pro HB3 . 19968 1 1254 . 1 1 120 120 PRO HG2 H 1 1.858 0.020 . 2 . . . . 120 Pro HG2 . 19968 1 1255 . 1 1 120 120 PRO HG3 H 1 1.806 0.020 . 2 . . . . 120 Pro HG3 . 19968 1 1256 . 1 1 120 120 PRO HD2 H 1 3.407 0.020 . 2 . . . . 120 Pro HD2 . 19968 1 1257 . 1 1 120 120 PRO HD3 H 1 3.672 0.020 . 2 . . . . 120 Pro HD3 . 19968 1 1258 . 1 1 120 120 PRO C C 13 175.242 0.200 . 1 . . . . 120 Pro C . 19968 1 1259 . 1 1 120 120 PRO CA C 13 62.905 0.200 . 1 . . . . 120 Pro CA . 19968 1 1260 . 1 1 120 120 PRO CB C 13 32.352 0.200 . 1 . . . . 120 Pro CB . 19968 1 1261 . 1 1 120 120 PRO CG C 13 27.083 0.200 . 1 . . . . 120 Pro CG . 19968 1 1262 . 1 1 120 120 PRO CD C 13 51.282 0.200 . 1 . . . . 120 Pro CD . 19968 1 1263 . 1 1 121 121 ASN H H 1 8.520 0.020 . 1 . . . . 121 Asn H . 19968 1 1264 . 1 1 121 121 ASN HA H 1 4.781 0.020 . 1 . . . . 121 Asn HA . 19968 1 1265 . 1 1 121 121 ASN HB2 H 1 2.784 0.020 . 2 . . . . 121 Asn HB2 . 19968 1 1266 . 1 1 121 121 ASN HB3 H 1 2.759 0.020 . 2 . . . . 121 Asn HB3 . 19968 1 1267 . 1 1 121 121 ASN HD21 H 1 6.921 0.020 . 1 . . . . 121 Asn HD21 . 19968 1 1268 . 1 1 121 121 ASN HD22 H 1 7.587 0.020 . 1 . . . . 121 Asn HD22 . 19968 1 1269 . 1 1 121 121 ASN C C 13 174.811 0.200 . 1 . . . . 121 Asn C . 19968 1 1270 . 1 1 121 121 ASN CA C 13 53.096 0.200 . 1 . . . . 121 Asn CA . 19968 1 1271 . 1 1 121 121 ASN CB C 13 39.412 0.200 . 1 . . . . 121 Asn CB . 19968 1 1272 . 1 1 121 121 ASN N N 15 118.026 0.200 . 1 . . . . 121 Asn N . 19968 1 1273 . 1 1 121 121 ASN ND2 N 15 111.730 0.200 . 1 . . . . 121 Asn ND2 . 19968 1 1274 . 1 1 122 122 GLY H H 1 8.071 0.020 . 1 . . . . 122 Gly H . 19968 1 1275 . 1 1 122 122 GLY HA2 H 1 4.019 0.020 . 2 . . . . 122 Gly HA2 . 19968 1 1276 . 1 1 122 122 GLY HA3 H 1 3.962 0.020 . 2 . . . . 122 Gly HA3 . 19968 1 1277 . 1 1 122 122 GLY CA C 13 44.844 0.200 . 1 . . . . 122 Gly CA . 19968 1 1278 . 1 1 122 122 GLY N N 15 109.065 0.200 . 1 . . . . 122 Gly N . 19968 1 1279 . 1 1 123 123 GLU H H 1 8.362 0.020 . 1 . . . . 123 Glu H . 19968 1 1280 . 1 1 123 123 GLU HA H 1 4.354 0.020 . 1 . . . . 123 Glu HA . 19968 1 1281 . 1 1 123 123 GLU HB2 H 1 1.889 0.020 . 2 . . . . 123 Glu HB2 . 19968 1 1282 . 1 1 123 123 GLU HB3 H 1 1.967 0.020 . 2 . . . . 123 Glu HB3 . 19968 1 1283 . 1 1 123 123 GLU HG3 H 1 2.225 0.020 . 1 . . . . 123 Glu HG3 . 19968 1 1284 . 1 1 123 123 GLU C C 13 175.214 0.200 . 1 . . . . 123 Glu C . 19968 1 1285 . 1 1 123 123 GLU CA C 13 57.400 0.200 . 1 . . . . 123 Glu CA . 19968 1 1286 . 1 1 123 123 GLU CB C 13 30.662 0.200 . 1 . . . . 123 Glu CB . 19968 1 1287 . 1 1 123 123 GLU CG C 13 36.722 0.200 . 1 . . . . 123 Glu CG . 19968 1 1288 . 1 1 123 123 GLU N N 15 120.480 0.200 . 1 . . . . 123 Glu N . 19968 1 1289 . 1 1 124 124 TRP H H 1 9.067 0.020 . 1 . . . . 124 Trp H . 19968 1 1290 . 1 1 124 124 TRP HA H 1 4.518 0.020 . 1 . . . . 124 Trp HA . 19968 1 1291 . 1 1 124 124 TRP HB2 H 1 2.957 0.020 . 2 . . . . 124 Trp HB2 . 19968 1 1292 . 1 1 124 124 TRP HB3 H 1 3.219 0.020 . 2 . . . . 124 Trp HB3 . 19968 1 1293 . 1 1 124 124 TRP HD1 H 1 6.873 0.020 . 1 . . . . 124 Trp HD1 . 19968 1 1294 . 1 1 124 124 TRP HE1 H 1 9.810 0.020 . 1 . . . . 124 Trp HE1 . 19968 1 1295 . 1 1 124 124 TRP HE3 H 1 7.293 0.020 . 1 . . . . 124 Trp HE3 . 19968 1 1296 . 1 1 124 124 TRP HZ2 H 1 7.119 0.020 . 1 . . . . 124 Trp HZ2 . 19968 1 1297 . 1 1 124 124 TRP HZ3 H 1 6.689 0.020 . 1 . . . . 124 Trp HZ3 . 19968 1 1298 . 1 1 124 124 TRP HH2 H 1 6.528 0.020 . 1 . . . . 124 Trp HH2 . 19968 1 1299 . 1 1 124 124 TRP C C 13 171.609 0.200 . 1 . . . . 124 Trp C . 19968 1 1300 . 1 1 124 124 TRP CA C 13 59.983 0.200 . 1 . . . . 124 Trp CA . 19968 1 1301 . 1 1 124 124 TRP CB C 13 30.530 0.200 . 1 . . . . 124 Trp CB . 19968 1 1302 . 1 1 124 124 TRP N N 15 125.556 0.200 . 1 . . . . 124 Trp N . 19968 1 1303 . 1 1 124 124 TRP NE1 N 15 128.189 0.200 . 1 . . . . 124 Trp NE1 . 19968 1 1304 . 1 1 125 125 LEU H H 1 6.803 0.020 . 1 . . . . 125 Leu H . 19968 1 1305 . 1 1 125 125 LEU HA H 1 4.892 0.020 . 1 . . . . 125 Leu HA . 19968 1 1306 . 1 1 125 125 LEU HB2 H 1 0.878 0.020 . 2 . . . . 125 Leu HB2 . 19968 1 1307 . 1 1 125 125 LEU HB3 H 1 1.154 0.020 . 2 . . . . 125 Leu HB3 . 19968 1 1308 . 1 1 125 125 LEU HG H 1 1.566 0.020 . 1 . . . . 125 Leu HG . 19968 1 1309 . 1 1 125 125 LEU HD11 H 1 0.740 0.020 . 2 . . . . 125 Leu HD11 . 19968 1 1310 . 1 1 125 125 LEU HD12 H 1 0.740 0.020 . 2 . . . . 125 Leu HD12 . 19968 1 1311 . 1 1 125 125 LEU HD13 H 1 0.740 0.020 . 2 . . . . 125 Leu HD13 . 19968 1 1312 . 1 1 125 125 LEU HD21 H 1 0.811 0.020 . 2 . . . . 125 Leu HD21 . 19968 1 1313 . 1 1 125 125 LEU HD22 H 1 0.811 0.020 . 2 . . . . 125 Leu HD22 . 19968 1 1314 . 1 1 125 125 LEU HD23 H 1 0.811 0.020 . 2 . . . . 125 Leu HD23 . 19968 1 1315 . 1 1 125 125 LEU C C 13 174.407 0.200 . 1 . . . . 125 Leu C . 19968 1 1316 . 1 1 125 125 LEU CA C 13 52.226 0.200 . 1 . . . . 125 Leu CA . 19968 1 1317 . 1 1 125 125 LEU CB C 13 44.322 0.200 . 1 . . . . 125 Leu CB . 19968 1 1318 . 1 1 125 125 LEU CG C 13 27.590 0.200 . 1 . . . . 125 Leu CG . 19968 1 1319 . 1 1 125 125 LEU CD1 C 13 24.161 0.200 . 2 . . . . 125 Leu CD1 . 19968 1 1320 . 1 1 125 125 LEU CD2 C 13 25.266 0.200 . 2 . . . . 125 Leu CD2 . 19968 1 1321 . 1 1 125 125 LEU N N 15 125.887 0.200 . 1 . . . . 125 Leu N . 19968 1 1322 . 1 1 126 126 CYS H H 1 9.082 0.020 . 1 . . . . 126 Cys H . 19968 1 1323 . 1 1 126 126 CYS HA H 1 3.476 0.020 . 1 . . . . 126 Cys HA . 19968 1 1324 . 1 1 126 126 CYS HB2 H 1 3.283 0.020 . 2 . . . . 126 Cys HB2 . 19968 1 1325 . 1 1 126 126 CYS HB3 H 1 2.444 0.020 . 2 . . . . 126 Cys HB3 . 19968 1 1326 . 1 1 126 126 CYS CA C 13 57.090 0.200 . 1 . . . . 126 Cys CA . 19968 1 1327 . 1 1 126 126 CYS CB C 13 29.805 0.200 . 1 . . . . 126 Cys CB . 19968 1 1328 . 1 1 126 126 CYS N N 15 125.705 0.200 . 1 . . . . 126 Cys N . 19968 1 1329 . 1 1 127 127 PRO HA H 1 4.173 0.020 . 1 . . . . 127 Pro HA . 19968 1 1330 . 1 1 127 127 PRO HB2 H 1 2.391 0.020 . 2 . . . . 127 Pro HB2 . 19968 1 1331 . 1 1 127 127 PRO HB3 H 1 1.816 0.020 . 2 . . . . 127 Pro HB3 . 19968 1 1332 . 1 1 127 127 PRO C C 13 177.857 0.200 . 1 . . . . 127 Pro C . 19968 1 1333 . 1 1 127 127 PRO CA C 13 65.302 0.200 . 1 . . . . 127 Pro CA . 19968 1 1334 . 1 1 127 127 PRO CB C 13 32.365 0.200 . 1 . . . . 127 Pro CB . 19968 1 1335 . 1 1 128 128 ARG H H 1 8.331 0.020 . 1 . . . . 128 Arg H . 19968 1 1336 . 1 1 128 128 ARG HA H 1 4.140 0.020 . 1 . . . . 128 Arg HA . 19968 1 1337 . 1 1 128 128 ARG HB3 H 1 1.887 0.020 . 1 . . . . 128 Arg HB3 . 19968 1 1338 . 1 1 128 128 ARG HG2 H 1 1.772 0.020 . 2 . . . . 128 Arg HG2 . 19968 1 1339 . 1 1 128 128 ARG HG3 H 1 1.629 0.020 . 2 . . . . 128 Arg HG3 . 19968 1 1340 . 1 1 128 128 ARG C C 13 177.427 0.200 . 1 . . . . 128 Arg C . 19968 1 1341 . 1 1 128 128 ARG CA C 13 58.337 0.200 . 1 . . . . 128 Arg CA . 19968 1 1342 . 1 1 128 128 ARG CB C 13 30.899 0.200 . 1 . . . . 128 Arg CB . 19968 1 1343 . 1 1 128 128 ARG CG C 13 28.108 0.200 . 1 . . . . 128 Arg CG . 19968 1 1344 . 1 1 128 128 ARG CD C 13 43.532 0.200 . 1 . . . . 128 Arg CD . 19968 1 1345 . 1 1 128 128 ARG N N 15 117.036 0.200 . 1 . . . . 128 Arg N . 19968 1 1346 . 1 1 129 129 CYS H H 1 7.999 0.020 . 1 . . . . 129 Cys H . 19968 1 1347 . 1 1 129 129 CYS HA H 1 4.002 0.020 . 1 . . . . 129 Cys HA . 19968 1 1348 . 1 1 129 129 CYS HB2 H 1 2.815 0.020 . 2 . . . . 129 Cys HB2 . 19968 1 1349 . 1 1 129 129 CYS HB3 H 1 2.619 0.020 . 2 . . . . 129 Cys HB3 . 19968 1 1350 . 1 1 129 129 CYS C C 13 175.656 0.200 . 1 . . . . 129 Cys C . 19968 1 1351 . 1 1 129 129 CYS CA C 13 63.140 0.200 . 1 . . . . 129 Cys CA . 19968 1 1352 . 1 1 129 129 CYS CB C 13 30.052 0.200 . 1 . . . . 129 Cys CB . 19968 1 1353 . 1 1 129 129 CYS N N 15 120.915 0.200 . 1 . . . . 129 Cys N . 19968 1 1354 . 1 1 130 130 THR H H 1 7.618 0.020 . 1 . . . . 130 Thr H . 19968 1 1355 . 1 1 130 130 THR HA H 1 3.986 0.020 . 1 . . . . 130 Thr HA . 19968 1 1356 . 1 1 130 130 THR HB H 1 4.043 0.020 . 1 . . . . 130 Thr HB . 19968 1 1357 . 1 1 130 130 THR HG21 H 1 0.992 0.020 . 1 . . . . 130 Thr HG21 . 19968 1 1358 . 1 1 130 130 THR HG22 H 1 0.992 0.020 . 1 . . . . 130 Thr HG22 . 19968 1 1359 . 1 1 130 130 THR HG23 H 1 0.992 0.020 . 1 . . . . 130 Thr HG23 . 19968 1 1360 . 1 1 130 130 THR C C 13 173.275 0.200 . 1 . . . . 130 Thr C . 19968 1 1361 . 1 1 130 130 THR CA C 13 62.956 0.200 . 1 . . . . 130 Thr CA . 19968 1 1362 . 1 1 130 130 THR CB C 13 69.449 0.200 . 1 . . . . 130 Thr CB . 19968 1 1363 . 1 1 130 130 THR N N 15 110.343 0.200 . 1 . . . . 130 Thr N . 19968 1 1364 . 1 1 131 131 CYS H H 1 7.553 0.020 . 1 . . . . 131 Cys H . 19968 1 1365 . 1 1 131 131 CYS HA H 1 4.574 0.020 . 1 . . . . 131 Cys HA . 19968 1 1366 . 1 1 131 131 CYS HB2 H 1 2.765 0.020 . 2 . . . . 131 Cys HB2 . 19968 1 1367 . 1 1 131 131 CYS HB3 H 1 2.910 0.020 . 2 . . . . 131 Cys HB3 . 19968 1 1368 . 1 1 131 131 CYS CB C 13 27.599 0.200 . 1 . . . . 131 Cys CB . 19968 1 1369 . 1 1 131 131 CYS N N 15 121.503 0.200 . 1 . . . . 131 Cys N . 19968 1 1370 . 1 1 132 132 PRO C C 13 175.865 0.200 . 1 . . . . 132 Pro C . 19968 1 1371 . 1 1 132 132 PRO CA C 13 62.874 0.200 . 1 . . . . 132 Pro CA . 19968 1 1372 . 1 1 132 132 PRO CB C 13 32.138 0.200 . 1 . . . . 132 Pro CB . 19968 1 1373 . 1 1 132 132 PRO CG C 13 27.269 0.200 . 1 . . . . 132 Pro CG . 19968 1 1374 . 1 1 133 133 ALA H H 1 8.218 0.020 . 1 . . . . 133 Ala H . 19968 1 1375 . 1 1 133 133 ALA HA H 1 4.263 0.020 . 1 . . . . 133 Ala HA . 19968 1 1376 . 1 1 133 133 ALA HB1 H 1 1.379 0.020 . 1 . . . . 133 Ala HB1 . 19968 1 1377 . 1 1 133 133 ALA HB2 H 1 1.379 0.020 . 1 . . . . 133 Ala HB2 . 19968 1 1378 . 1 1 133 133 ALA HB3 H 1 1.379 0.020 . 1 . . . . 133 Ala HB3 . 19968 1 1379 . 1 1 133 133 ALA CA C 13 52.669 0.200 . 1 . . . . 133 Ala CA . 19968 1 1380 . 1 1 133 133 ALA CB C 13 19.240 0.200 . 1 . . . . 133 Ala CB . 19968 1 1381 . 1 1 133 133 ALA N N 15 122.344 0.200 . 1 . . . . 133 Ala N . 19968 1 1382 . 1 1 134 134 LEU H H 1 7.999 0.020 . 1 . . . . 134 Leu H . 19968 1 1383 . 1 1 134 134 LEU HA H 1 4.271 0.020 . 1 . . . . 134 Leu HA . 19968 1 1384 . 1 1 134 134 LEU HB2 H 1 1.598 0.020 . 2 . . . . 134 Leu HB2 . 19968 1 1385 . 1 1 134 134 LEU HB3 H 1 1.671 0.020 . 2 . . . . 134 Leu HB3 . 19968 1 1386 . 1 1 134 134 LEU HD21 H 1 0.896 0.020 . 1 . . . . 134 Leu HD21 . 19968 1 1387 . 1 1 134 134 LEU HD22 H 1 0.896 0.020 . 1 . . . . 134 Leu HD22 . 19968 1 1388 . 1 1 134 134 LEU HD23 H 1 0.896 0.020 . 1 . . . . 134 Leu HD23 . 19968 1 1389 . 1 1 134 134 LEU N N 15 118.876 0.200 . 1 . . . . 134 Leu N . 19968 1 1390 . 1 1 135 135 LYS H H 1 8.047 0.020 . 1 . . . . 135 Lys H . 19968 1 1391 . 1 1 135 135 LYS HA H 1 4.226 0.020 . 1 . . . . 135 Lys HA . 19968 1 1392 . 1 1 135 135 LYS N N 15 119.992 0.200 . 1 . . . . 135 Lys N . 19968 1 stop_ save_